(3S)-1-[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1S)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C22H27N3O3/c1-15-10-11-19(28-2)18(13-15)24-22(27)20(16-7-4-3-5-8-16)25-12-6-9-17(14-25)21(23)26/h3-5,7-8,10-11,13,17,20H,6,9,12,14H2,1-2H3,(H2,23,26)(H,24,27)/p+1/t17-,20-/m0/s1