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

Systemtic Name: (2E)-2-[6-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)benzo[c][1]benzazepin-11-ylidene]ethanenitrile Openeye Name: (2E)-2-[6-(4-methyl-4-oxido-piperazin-4-ium-1-yl)benzo[c][1]benzazepin-11-ylidene]acetonitrile CAS Name: (2E)-2-[6-(4-methyl-4-oxido-1-piperazin-4-iumyl)-11-benzo[c][1]benzazepinylidene]acetonitrile IUPAC Name: (2E)-2-[6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)benzo[c][1]benzazepin-11-ylidene]acetonitrile Traditional Name: (2E)-2-[6-(4-methyl-4-oxido-piperazin-4-ium-1-yl)benzo[c][1]benzazepin-11-ylidene]acetonitrile Formula: C21H20N4O MolecularWeight: 344.4097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3C(=CC#N)C4=CC=CC=C42)[O-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3/C(=C/C#N)/C4=CC=CC=C42)[O-]

InChI

InChI=1S/C21H20N4O/c1-25(26)14-12-24(13-15-25)21-19-8-3-2-6-16(19)17(10-11-22)18-7-4-5-9-20(18)23-21/h2-10H,12-15H2,1H3/b17-10+