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

Systemtic Name: methyl 2,4-dimethyl-5-[(1-propan-2-ylpiperidin-1-ium-4-yl)carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(1-isopropylpiperidin-1-ium-4-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[(1-propan-2-yl-4-piperidin-1-iumyl)amino]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(1-propan-2-ylpiperidin-1-ium-4-yl)carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[(1-isopropylpiperidin-1-ium-4-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H28N3O3+ MolecularWeight: 322.42252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3/c1-10(2)20-8-6-13(7-9-20)19-16(21)15-11(3)14(12(4)18-15)17(22)23-5/h10,13,18H,6-9H2,1-5H3,(H,19,21)/p+1