(3S)-1-[3-[(4-cyanophenyl)amino]-3-oxidanylidene-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[3-[(4-cyanophenyl)amino]-3-oxidanylidene-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[3-(4-cyanoanilino)-3-oxo-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[3-(4-cyanoanilino)-3-keto-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC(=O)NC2=CC=C(C=C2)C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC(=O)NC2=CC=C(C=C2)C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2/c23-15-17-8-10-20(11-9-17)24-21(27)12-14-26-13-4-5-18(16-26)22(28)25-19-6-2-1-3-7-19/h1-3,6-11,18H,4-5,12-14,16H2,(H,24,27)(H,25,28)/p+1/t18-/m0/s1