methyl 2,4-dimethyl-5-[2-(4-methylpiperidin-1-ium-1-yl)ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-(4-methylpiperidin-1-ium-1-yl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

InChI=1S/C16H24N2O3/c1-10-5-7-18(8-6-10)9-13(19)15-11(2)14(12(3)17-15)16(20)21-4/h10,17H,5-9H2,1-4H3/p+1