1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carbothioate hydrochloride

Systemtic Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carbothioate hydrochloride Openeye Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carbothioate hydrochloride CAS Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarbothioate hydrochloride IUPAC Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carbothioate hydrochloride Traditional Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-thioisonipecotate hydrochloride Formula: C28H28ClN2OS- MolecularWeight: 476.05272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=S)[O-])CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=S)[O-])CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C28H28N2OS.ClH/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23;/h1-15H,16-21H2,(H,31,32);1H/p-1