[2-[(1-ethylpiperidin-1-ium-4-yl)amino]-2-oxidanylidene-ethyl] 1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[(1-ethylpiperidin-1-ium-4-yl)amino]-2-oxidanylidene-ethyl] 1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-[(1-ethylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl] 1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[(1-ethyl-4-piperidin-1-iumyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-ethylpiperidin-1-ium-4-yl)amino]-2-oxoethyl] 1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid [2-[(1-ethylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl] ester Formula: C23H31ClN3O4+ MolecularWeight: 448.96294

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)COC(=O)C2=C(N(C(=C2)C)C3=C(C=CC(=C3)Cl)OC)C

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)COC(=O)C2=C(N(C(=C2)C)C3=C(C=CC(=C3)Cl)OC)C

InChI

InChI=1S/C23H30ClN3O4/c1-5-26-10-8-18(9-11-26)25-22(28)14-31-23(29)19-12-15(2)27(16(19)3)20-13-17(24)6-7-21(20)30-4/h6-7,12-13,18H,5,8-11,14H2,1-4H3,(H,25,28)/p+1