ethyl 1-[2-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[2-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[2-[(4-ethoxyanilino)-oxomethyl]anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[2-(p-phenetylcarbamoyl)anilino]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H32N3O5+ MolecularWeight: 454.53868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C25H31N3O5/c1-3-32-20-11-9-19(10-12-20)26-24(30)21-7-5-6-8-22(21)27-23(29)17-28-15-13-18(14-16-28)25(31)33-4-2/h5-12,18H,3-4,13-17H2,1-2H3,(H,26,30)(H,27,29)/p+1