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

Systemtic Name: ethyl 4-[2-[[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[[2-(2-methoxyanilino)-2-oxo-ethyl]-propyl-amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[[2-keto-2-(o-anisidino)ethyl]-propyl-amino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H33N4O5+ MolecularWeight: 421.51052

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C[NH+]2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C[NH+]2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C21H32N4O5/c1-4-10-25(15-19(26)22-17-8-6-7-9-18(17)29-3)20(27)16-23-11-13-24(14-12-23)21(28)30-5-2/h6-9H,4-5,10-16H2,1-3H3,(H,22,26)/p+1