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

Systemtic Name: 1-[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C17H23N3O3/c1-11(20-9-7-14(8-10-20)16(18)22)17(23)19-15-5-3-13(4-6-15)12(2)21/h3-6,11,14H,7-10H2,1-2H3,(H2,18,22)(H,19,23)/p+1/t11-/m1/s1