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

Systemtic Name: ethyl 4-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(4-ethoxyanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-(p-phenetidino)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C17H25N3O4/c1-3-23-15-7-5-14(6-8-15)18-16(21)13-19-9-11-20(12-10-19)17(22)24-4-2/h5-8H,3-4,9-13H2,1-2H3,(H,18,21)/p+1