1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-pentan-3-yl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2/c1-6-16(7-2)17-8-10-22(11-9-17)12-18(24)20-13(3)19(15(5)23)14(4)21-20/h8-11,16H,6-7,12H2,1-5H3/p+1