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

Systemtic Name: methyl 1-[2-[[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[[2-(4-acetamidoanilino)-2-oxo-ethyl]-ethyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[2-(4-acetamidoanilino)-2-keto-ethyl]-ethyl-amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H31N4O5+ MolecularWeight: 419.49464

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C21H30N4O5/c1-4-25(20(28)14-24-11-9-16(10-12-24)21(29)30-3)13-19(27)23-18-7-5-17(6-8-18)22-15(2)26/h5-8,16H,4,9-14H2,1-3H3,(H,22,26)(H,23,27)/p+1