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

Systemtic Name: 1-[(2R)-1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(1R)-1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(1R)-2-keto-1-methyl-2-(4-phenoxyanilino)ethyl]pyridin-1-ium-3-carboxamide Formula: C21H20N3O3+ MolecularWeight: 362.4018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C21H19N3O3/c1-15(24-13-5-6-16(14-24)20(22)25)21(26)23-17-9-11-19(12-10-17)27-18-7-3-2-4-8-18/h2-15H,1H3,(H2-,22,23,25,26)/p+1/t15-/m1/s1