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

Systemtic Name: ethyl 1-[2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[2-(2-ethylanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4/c1-4-16-8-6-7-9-18(16)22-19(25)14-23(3)20(26)15-24-12-10-17(11-13-24)21(27)28-5-2/h6-9,17H,4-5,10-15H2,1-3H3,(H,22,25)/p+1