Synonyms
MFCD20922893;1141464-90-5;2-[2,6-Bis(1-methylethyl)phenyl]-3,3-dimethyl-2-azoniaspiro[4.5]dec-1-ene hydrogen dichloride;
IUPAC Name
2-[2,6-di(propan-2-yl)phenyl]-3,3-dimethyl-2-azoniaspiro[4.5]dec-1-ene;chloride;hydrochloride;
Molecular Weight
398.456g/mol
Molecular Formula
C23H37Cl2N;
Canonical SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)[N+]2=CC3(CCCCC3)CC2(C)C.Cl.[Cl-];
InChI
InChI=1S/C23H36N.2ClH/c1-17(2)19-11-10-12-20(18(3)4)21(19)24-16-23(15-22(24,5)6)13-8-7-9-14-23;;/h10-12,16-18H,7-9,13-15H2,1-6H3;2*1H/q+1;;/p-1;
InChI Key
GNHPATZPJSGULD-UHFFFAOYSA-M;
Complexity
448
Covalently-Bonded Unit Count
3
Exact Mass
397.23g/mol
H-Bond Acceptor
1
H-Bond Donor
1
Heavy Atom Count
26
Monoisotopic Mass
397.23g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
3A^2
