1-ethyl-3-(1-methylpyridin-1-ium-2-yl)isoquinoline

Systemtic Name: 1-ethyl-3-(1-methylpyridin-1-ium-2-yl)isoquinoline Openeye Name: 1-ethyl-3-(1-methylpyridin-1-ium-2-yl)isoquinoline CAS Name: 1-ethyl-3-(1-methyl-2-pyridin-1-iumyl)isoquinoline IUPAC Name: 1-ethyl-3-(1-methylpyridin-1-ium-2-yl)isoquinoline Traditional Name: 1-ethyl-3-(1-methylpyridin-1-ium-2-yl)isoquinoline Formula: C17H17N2+ MolecularWeight: 249.33028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC2=CC=CC=C21)C3=CC=CC=[N+]3C

Isomeric SMILES

CCC1=NC(=CC2=CC=CC=C21)C3=CC=CC=[N+]3C

InChI

InChI=1S/C17H17N2/c1-3-15-14-9-5-4-8-13(14)12-16(18-15)17-10-6-7-11-19(17)2/h4-12H,3H2,1-2H3/q+1