Synonyms
1,3-Bis((S)-2,2-dimethyl-1-(naphthalen-1-yl)propyl)-4,5-dihydro-1H-imidazol-3-ium iodide;1333385-97-9;
IUPAC Name
1,3-bis[(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl]-4,5-dihydroimidazol-1-ium;iodide;
Molecular Weight
590.593g/mol
Molecular Formula
C33H39IN2;
Canonical SMILES
CC(C)(C)C(C1=CC=CC2=CC=CC=C21)N3CC[N+](=C3)C(C4=CC=CC5=CC=CC=C54)C(C)(C)C.[I-];
InChI
InChI=1S/C33H39N2.HI/c1-32(2,3)30(28-19-11-15-24-13-7-9-17-26(24)28)34-21-22-35(23-34)31(33(4,5)6)29-20-12-16-25-14-8-10-18-27(25)29;/h7-20,23,30-31H,21-22H2,1-6H3;1H/q+1;/p-1/t30-,31-;/m1./s1;
InChI Key
FBAXFNUYKXNWGQ-XBPPRYKJSA-M;
Complexity
677
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
2
Exact Mass
590.216g/mol
H-Bond Acceptor
1
Heavy Atom Count
36
Monoisotopic Mass
590.216g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
6.2A^2
