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

Systemtic Name: methyl 1-[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(4-butoxycarbonylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-butoxycarbonylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-butoxycarbonylanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H29N2O5+ MolecularWeight: 377.45466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5/c1-3-4-13-27-20(25)15-5-7-17(8-6-15)21-18(23)14-22-11-9-16(10-12-22)19(24)26-2/h5-8,16H,3-4,9-14H2,1-2H3,(H,21,23)/p+1