(3S)-1-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC(=O)NC2=C(C=CS2)C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC(=O)NC2=C(C=CS2)C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c21-13-15-9-12-27-20(15)23-18(25)8-11-24-10-4-5-16(14-24)19(26)22-17-6-2-1-3-7-17/h1-3,6-7,9,12,16H,4-5,8,10-11,14H2,(H,22,26)(H,23,25)/p+1/t16-/m0/s1