2-[9-[(3-azanylisoindol-1-ylidene)amino]-1-methyl-[1,3,5,2]triazaborinino[6,1-a]isoindol-10-ium-3-yl]benzenecarbonitrile

Systemtic Name: 2-[9-[(3-azanylisoindol-1-ylidene)amino]-1-methyl-[1,3,5,2]triazaborinino[6,1-a]isoindol-10-ium-3-yl]benzenecarbonitrile Openeye Name: 2-[9-[(3-aminoisoindol-1-ylidene)amino]-1-methyl-[1,3,5,2]triazaborinino[6,1-a]isoindol-10-ium-3-yl]benzonitrile CAS Name: 2-[9-[(3-amino-1-isoindolylidene)amino]-1-methyl-[1,3,5,2]triazaborino[6,1-a]isoindol-10-ium-3-yl]benzonitrile IUPAC Name: 2-[9-[(3-aminoisoindol-1-ylidene)amino]-1-methyl-[1,3,5,2]triazaborinino[6,1-a]isoindol-10-ium-3-yl]benzonitrile Traditional Name: 2-[9-[(3-aminoisoindol-1-ylidene)amino]-1-methyl-[1,3,5,2]triazaborin[6,1-a]isoindol-10-ium-3-yl]benzonitrile Formula: C25H17BN7+ MolecularWeight: 426.26038

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Descriptors Computed from Structure

Canonical SMILES:

B1(N=C(N=C2[N+]1=C(C3=CC=CC=C32)N=C4C5=CC=CC=C5C(=N4)N)C6=CC=CC=C6C#N)C

Isomeric SMILES

B1(N=C(N=C2[N+]1=C(C3=CC=CC=C32)N=C4C5=CC=CC=C5C(=N4)N)C6=CC=CC=C6C#N)C

InChI

InChI=1S/C25H16BN7/c1-26-32-23(16-9-3-2-8-15(16)14-27)31-25-20-13-7-6-12-19(20)24(33(25)26)30-22-18-11-5-4-10-17(18)21(28)29-22/h2-13,28H,1H3/p+1