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

Systemtic Name: methyl 2,4-dimethyl-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3/c1-14-18(21(26)27-3)15(2)22-19(14)20(25)23-17-9-11-24(12-10-17)13-16-7-5-4-6-8-16/h4-8,17,22H,9-13H2,1-3H3,(H,23,25)/p+1