2-(4-pentan-3-ylpyridin-1-ium-1-yl)-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-(4-pentan-3-ylpyridin-1-ium-1-yl)-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-(4-pentan-3-yl-1-pyridin-1-iumyl)-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-(4-pentan-3-ylpyridin-1-ium-1-yl)-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Formula: C16H21N2O+ MolecularWeight: 257.35074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC(=O)C2=CC=CN2

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC(=O)C2=CC=CN2

InChI

InChI=1S/C16H20N2O/c1-3-13(4-2)14-7-10-18(11-8-14)12-16(19)15-6-5-9-17-15/h5-11,13H,3-4,12H2,1-2H3/p+1