3-azanylidene-2-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]prop-2-enenitrile

Systemtic Name: 3-azanylidene-2-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]prop-2-enenitrile Openeye Name: 2-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]-3-imino-prop-2-enenitrile CAS Name: 2-[3-(3,5-dimethyl-1-pyridin-1-iumyl)-2-quinoxalinyl]-3-imino-2-propenenitrile IUPAC Name: 2-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]-3-iminoprop-2-enenitrile Traditional Name: 2-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]-3-imino-acrylonitrile Formula: C18H14N5+ MolecularWeight: 300.33726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N5/c1-12-7-13(2)11-23(10-12)18-17(14(8-19)9-20)21-15-5-3-4-6-16(15)22-18/h3-7,10-11,19H,1-2H3/q+1