(3R,4R,5R,6R)-4-(3,4-dichlorophenyl)-6-oxidanyl-6-phenyl-5-quinolin-1-ium-1-yl-2-sulfanylidene-piperidine-3-carbonitrile

Systemtic Name: (3R,4R,5R,6R)-4-(3,4-dichlorophenyl)-6-oxidanyl-6-phenyl-5-quinolin-1-ium-1-yl-2-sulfanylidene-piperidine-3-carbonitrile Openeye Name: (3R,4R,5R,6R)-4-(3,4-dichlorophenyl)-6-hydroxy-6-phenyl-5-quinolin-1-ium-1-yl-2-thioxo-piperidine-3-carbonitrile CAS Name: (3R,4R,5R,6R)-4-(3,4-dichlorophenyl)-6-hydroxy-6-phenyl-5-(1-quinolin-1-iumyl)-2-sulfanylidene-3-piperidinecarbonitrile IUPAC Name: (3R,4R,5R,6R)-4-(3,4-dichlorophenyl)-6-hydroxy-6-phenyl-5-quinolin-1-ium-1-yl-2-sulfanylidenepiperidine-3-carbonitrile Traditional Name: (3R,4R,5R,6R)-4-(3,4-dichlorophenyl)-6-hydroxy-6-phenyl-5-quinolin-1-ium-1-yl-2-thioxo-nipecotonitrile Formula: C27H20Cl2N3OS+ MolecularWeight: 505.4382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C(C(C(C(=S)N2)C#N)C3=CC(=C(C=C3)Cl)Cl)[N+]4=CC=CC5=CC=CC=C54)O

Isomeric SMILES

C1=CC=C(C=C1)[C@]2([C@@H]([C@H]([C@@H](C(=S)N2)C#N)C3=CC(=C(C=C3)Cl)Cl)[N+]4=CC=CC5=CC=CC=C54)O

InChI

InChI=1S/C27H19Cl2N3OS/c28-21-13-12-18(15-22(21)29)24-20(16-30)26(34)31-27(33,19-9-2-1-3-10-19)25(24)32-14-6-8-17-7-4-5-11-23(17)32/h1-15,20,24-25,33H/p+1/t20-,24-,25+,27+/m0/s1