ethyl 4-[2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(2-acetylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(2-acetylanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-acetylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(2-acetylanilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(=O)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(=O)C

InChI

InChI=1S/C17H23N3O4/c1-3-24-17(23)20-10-8-19(9-11-20)12-16(22)18-15-7-5-4-6-14(15)13(2)21/h4-7H,3,8-12H2,1-2H3,(H,18,22)/p+1