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

Systemtic Name: 3-azanylidene-2-[3-[3-(phenylmethyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]prop-2-enenitrile Openeye Name: 2-[3-(3-benzylpyridin-1-ium-1-yl)quinoxalin-2-yl]-3-imino-prop-2-enenitrile CAS Name: 3-imino-2-[3-[3-(phenylmethyl)-1-pyridin-1-iumyl]-2-quinoxalinyl]-2-propenenitrile IUPAC Name: 2-[3-(3-benzylpyridin-1-ium-1-yl)quinoxalin-2-yl]-3-iminoprop-2-enenitrile Traditional Name: 2-[3-(3-benzylpyridin-1-ium-1-yl)quinoxalin-2-yl]-3-imino-acrylonitrile Formula: C23H16N5+ MolecularWeight: 362.40664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)C3=NC4=CC=CC=C4N=C3C(=C=N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)C3=NC4=CC=CC=C4N=C3C(=C=N)C#N

InChI

InChI=1S/C23H16N5/c24-14-19(15-25)22-23(27-21-11-5-4-10-20(21)26-22)28-12-6-9-18(16-28)13-17-7-2-1-3-8-17/h1-12,16,24H,13H2/q+1