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

Systemtic Name: ethyl 4-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(4-ethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(4-ethylanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-ethylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(4-ethylanilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C17H25N3O3/c1-3-14-5-7-15(8-6-14)18-16(21)13-19-9-11-20(12-10-19)17(22)23-4-2/h5-8H,3-4,9-13H2,1-2H3,(H,18,21)/p+1