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

Systemtic Name: ethyl 2,4-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C19H24N4O3/c1-4-26-19(25)16-13(2)17(21-14(16)3)18(24)23-11-9-22(10-12-23)15-7-5-6-8-20-15/h5-8,21H,4,9-12H2,1-3H3/p+1