(3R)-1-[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1S)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1S)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCC[C@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2/c1-16(21(27)24-20-11-9-17(14-23)10-12-20)26-13-5-6-18(15-26)22(28)25-19-7-3-2-4-8-19/h2-4,7-12,16,18H,5-6,13,15H2,1H3,(H,24,27)(H,25,28)/p+1/t16-,18+/m0/s1