diethyl 3-methyl-5-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[(4-pentan-3-yl-1-pyridin-1-iumyl)methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC2=C(C(=C(N2)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC2=C(C(=C(N2)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C22H30N2O4/c1-6-16(7-2)17-10-12-24(13-11-17)14-18-19(21(25)27-8-3)15(5)20(23-18)22(26)28-9-4/h10-13,16H,6-9,14H2,1-5H3/p+1