ethyl 2-[(3R)-3-[3-[(4-methoxy-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 2-[(3R)-3-[3-[(4-methoxy-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 2-[(3R)-3-[3-(4-methoxy-2-methyl-anilino)-3-oxo-propyl]-1-piperidyl]pyridin-1-ium-3-carboxylate CAS Name: 2-[(3R)-3-[3-(4-methoxy-2-methylanilino)-3-oxopropyl]-1-piperidinyl]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3R)-3-[3-(4-methoxy-2-methylanilino)-3-oxopropyl]piperidin-1-yl]pyridin-1-ium-3-carboxylate Traditional Name: 2-[(3R)-3-[3-keto-3-(4-methoxy-2-methyl-anilino)propyl]piperidino]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=CC=C1)N2CCCC(C2)CCC(=O)NC3=C(C=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C([NH+]=CC=C1)N2CCC[C@@H](C2)CCC(=O)NC3=C(C=C(C=C3)OC)C

InChI

InChI=1S/C24H31N3O4/c1-4-31-24(29)20-8-5-13-25-23(20)27-14-6-7-18(16-27)9-12-22(28)26-21-11-10-19(30-3)15-17(21)2/h5,8,10-11,13,15,18H,4,6-7,9,12,14,16H2,1-3H3,(H,26,28)/p+1/t18-/m1/s1