3-azanylidene-2-[3-(4-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]prop-2-enenitrile

Systemtic Name: 3-azanylidene-2-[3-(4-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]prop-2-enenitrile Openeye Name: 3-imino-2-[3-(4-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]prop-2-enenitrile CAS Name: 3-imino-2-[3-(4-methyl-1-pyridin-1-iumyl)-2-quinoxalinyl]-2-propenenitrile IUPAC Name: 3-imino-2-[3-(4-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]prop-2-enenitrile Traditional Name: 3-imino-2-[3-(4-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]acrylonitrile Formula: C17H12N5+ MolecularWeight: 286.31068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C2=NC3=CC=CC=C3N=C2C(=C=N)C#N

Isomeric SMILES

CC1=CC=[N+](C=C1)C2=NC3=CC=CC=C3N=C2C(=C=N)C#N

InChI

InChI=1S/C17H12N5/c1-12-6-8-22(9-7-12)17-16(13(10-18)11-19)20-14-4-2-3-5-15(14)21-17/h2-9,18H,1H3/q+1