methyl 4-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)ethanoyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)ethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C22H28N2O3/c1-15-9-11-23(12-10-15)14-21(25)20-13-16(2)24(17(20)3)19-7-5-18(6-8-19)22(26)27-4/h5-8,13,15H,9-12,14H2,1-4H3/p+1