methyl 2,4-dimethyl-5-[(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2R)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2R)-1-oxo-2-(4-pentan-3-yl-1-pyridin-1-iumyl)propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2R)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)C(C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

InChI=1S/C21H28N2O3/c1-7-16(8-2)17-9-11-23(12-10-17)15(5)20(24)19-13(3)18(14(4)22-19)21(25)26-6/h9-12,15-16H,7-8H2,1-6H3/p+1/t15-/m1/s1