Synonyms
(8S,9S)-9-Aminocinchonan-6'-ol;MFCD27978392;960050-59-3;(8a,9S)-(+)-9-Amino-cinchonan-6'-ol;
IUPAC Name
4-[(S)-amino-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinolin-6-ol;
Molecular Weight
309.413g/mol
Molecular Formula
C19H23N3O;
Canonical SMILES
C=CC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)O)N;
InChI
InChI=1S/C19H23N3O/c1-2-12-11-22-8-6-13(12)9-18(22)19(20)15-5-7-21-17-4-3-14(23)10-16(15)17/h2-5,7,10,12-13,18-19,23H,1,6,8-9,11,20H2/t12-,13-,18-,19-/m0/s1;
InChI Key
BVEMLWTWKOYCIY-OYUDYFSCSA-N;
Complexity
442
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
4
Exact Mass
309.184g/mol
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
23
Monoisotopic Mass
309.184g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
62.4A^2
