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

Systemtic Name: methyl 1-[2-[[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[[2-(2-methoxyanilino)-2-oxo-ethyl]-propyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[[2-keto-2-(o-anisidino)ethyl]-propyl-amino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H32N3O5+ MolecularWeight: 406.49588

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C21H31N3O5/c1-4-11-24(14-19(25)22-17-7-5-6-8-18(17)28-2)20(26)15-23-12-9-16(10-13-23)21(27)29-3/h5-8,16H,4,9-15H2,1-3H3,(H,22,25)/p+1