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

Systemtic Name: ethyl 4-[2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[[2-(2-ethylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[[2-(2-ethylanilino)-2-keto-ethyl]amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H29N4O4+ MolecularWeight: 377.45796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C[NH+]2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)C[NH+]2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C19H28N4O4/c1-3-15-7-5-6-8-16(15)21-17(24)13-20-18(25)14-22-9-11-23(12-10-22)19(26)27-4-2/h5-8H,3-4,9-14H2,1-2H3,(H,20,25)(H,21,24)/p+1