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

Systemtic Name: 3-azanylidene-2-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]prop-2-enenitrile Openeye Name: 3-imino-2-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]prop-2-enenitrile CAS Name: 3-imino-2-[3-(3-methyl-1-pyridin-1-iumyl)-2-quinoxalinyl]-2-propenenitrile IUPAC Name: 3-imino-2-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]prop-2-enenitrile Traditional Name: 3-imino-2-[3-(3-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=C[N+](=CC=C1)C2=NC3=CC=CC=C3N=C2C(=C=N)C#N

Isomeric SMILES

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

InChI

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