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

Systemtic Name: ethyl 2,4-dimethyl-5-[(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H31N2O3+ MolecularWeight: 371.49314

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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)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-7-17(8-2)18-10-12-24(13-11-18)16(6)21(25)20-14(4)19(15(5)23-20)22(26)27-9-3/h10-13,16-17H,7-9H2,1-6H3/p+1/t16-/m1/s1