4-[(2S)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-N,N-dimethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(2S)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-N,N-dimethyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[(1S)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl]-N,N-dimethyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-N,N-dimethyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-N,N-dimethylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[(1S)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl]-N,N-dimethyl-piperazin-4-ium-1-carboxamide Formula: C18H27N4O3+ MolecularWeight: 347.43198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3/c1-13(21-9-11-22(12-10-21)18(25)20(3)4)17(24)19-16-7-5-15(6-8-16)14(2)23/h5-8,13H,9-12H2,1-4H3,(H,19,24)/p+1/t13-/m0/s1