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

Systemtic Name: ethyl 4-[2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[[2-(2-ethylanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H31N4O4+ MolecularWeight: 391.48454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O4/c1-4-16-8-6-7-9-17(16)21-18(25)14-22(3)19(26)15-23-10-12-24(13-11-23)20(27)28-5-2/h6-9H,4-5,10-15H2,1-3H3,(H,21,25)/p+1