ethyl 4-[2-[[3-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[[3-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[3-(methylcarbamoyl)anilino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[3-(methylcarbamoyl)anilino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H25N4O4+ MolecularWeight: 349.4048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC(=C2)C(=O)NC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC(=C2)C(=O)NC

InChI

InChI=1S/C17H24N4O4/c1-3-25-17(24)21-9-7-20(8-10-21)12-15(22)19-14-6-4-5-13(11-14)16(23)18-2/h4-6,11H,3,7-10,12H2,1-2H3,(H,18,23)(H,19,22)/p+1