(2Z)-3-azanyl-3-(azepan-1-ium-1-ylidene)-2-[(4-methylphenyl)hydrazinylidene]propanenitrile

Systemtic Name: (2Z)-3-azanyl-3-(azepan-1-ium-1-ylidene)-2-[(4-methylphenyl)hydrazinylidene]propanenitrile Openeye Name: (1Z)-2-amino-2-(azepan-1-ium-1-ylidene)-N-(4-methylanilino)acetimidoyl cyanide CAS Name: (2Z)-3-amino-3-(1-azepan-1-iumylidene)-2-[(4-methylphenyl)hydrazinylidene]propanenitrile IUPAC Name: (1Z)-2-amino-2-(azepan-1-ium-1-ylidene)-N-(4-methylanilino)ethanimidoyl cyanide Traditional Name: (2Z)-3-amino-3-(azepan-1-ium-1-ylidene)-2-(p-tolylhydrazono)propionitrile Formula: C16H22N5+ MolecularWeight: 284.37938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NN=C(C#N)C(=[N+]2CCCCCC2)N

Isomeric SMILES

CC1=CC=C(C=C1)N/N=C(/C#N)\C(=[N+]2CCCCCC2)N

InChI

InChI=1S/C16H21N5/c1-13-6-8-14(9-7-13)19-20-15(12-17)16(18)21-10-4-2-3-5-11-21/h6-9H,2-5,10-11H2,1H3,(H2,18,19)/p+1