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

Systemtic Name: ethyl 5-[(2R)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2R)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2R)-2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2R)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2R)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C=C1)C)C(C)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C20H26N2O3/c1-7-16-10-9-12(3)22(11-16)15(6)19(23)18-13(4)17(14(5)21-18)20(24)25-8-2/h9-11,15H,7-8H2,1-6H3/p+1/t15-/m1/s1