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

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-isoquinolin-2-ium-2-yl-ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-isoquinolin-2-ium-2-yl-ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-isoquinolin-2-iumyl)ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-isoquinolin-2-ium-2-ylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-isoquinolin-2-ium-2-yl-ethanone Formula: C19H19N2O2+ MolecularWeight: 307.36636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H18N2O2/c1-12-18(14(3)22)13(2)20-19(12)17(23)11-21-9-8-15-6-4-5-7-16(15)10-21/h4-10H,11H2,1-3H3/p+1