methyl 2,4-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H22N4O3/c1-12-15(18(24)25-3)13(2)20-16(12)17(23)22-10-8-21(9-11-22)14-6-4-5-7-19-14/h4-7,20H,8-11H2,1-3H3/p+1