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

Systemtic Name: methyl 2,4-dimethyl-5-[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[4-[anilino(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-14-19(22(28)29-3)15(2)23-20(14)18(26)13-25-11-9-16(10-12-25)21(27)24-17-7-5-4-6-8-17/h4-8,16,23H,9-13H2,1-3H3,(H,24,27)/p+1