(2Z)-2-[3-methyl-6-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)benzo[c][1]benzazepin-11-ylidene]ethanenitrile

Systemtic Name: (2Z)-2-[3-methyl-6-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)benzo[c][1]benzazepin-11-ylidene]ethanenitrile Openeye Name: (2Z)-2-[3-methyl-6-(4-methyl-4-oxido-piperazin-4-ium-1-yl)benzo[c][1]benzazepin-11-ylidene]acetonitrile CAS Name: (2Z)-2-[3-methyl-6-(4-methyl-4-oxido-1-piperazin-4-iumyl)-11-benzo[c][1]benzazepinylidene]acetonitrile IUPAC Name: (2Z)-2-[3-methyl-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)benzo[c][1]benzazepin-11-ylidene]acetonitrile Traditional Name: (2Z)-2-[3-methyl-6-(4-methyl-4-oxido-piperazin-4-ium-1-yl)benzo[c][1]benzazepin-11-ylidene]acetonitrile Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC#N)C3=CC=CC=C3C(=N2)N4CC[N+](CC4)(C)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)/C(=C\C#N)/C3=CC=CC=C3C(=N2)N4CC[N+](CC4)(C)[O-]

InChI

InChI=1S/C22H22N4O/c1-16-7-8-19-18(9-10-23)17-5-3-4-6-20(17)22(24-21(19)15-16)25-11-13-26(2,27)14-12-25/h3-9,15H,11-14H2,1-2H3/b18-9-