1-[(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(1R)-1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(2R)-1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(1R)-2-keto-1-methyl-2-(4-piperidinoanilino)ethyl]pyridin-1-ium-3-carboxamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C20H24N4O2/c1-15(24-13-5-6-16(14-24)19(21)25)20(26)22-17-7-9-18(10-8-17)23-11-3-2-4-12-23/h5-10,13-15H,2-4,11-12H2,1H3,(H2-,21,22,25,26)/p+1/t15-/m1/s1