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

Systemtic Name: (2Z)-3-azanyl-3-(azepan-1-ium-1-ylidene)-2-[(4-methoxyphenyl)hydrazinylidene]propanenitrile Openeye Name: (1Z)-2-amino-2-(azepan-1-ium-1-ylidene)-N-(4-methoxyanilino)acetimidoyl cyanide CAS Name: (2Z)-3-amino-3-(1-azepan-1-iumylidene)-2-[(4-methoxyphenyl)hydrazinylidene]propanenitrile IUPAC Name: (1Z)-2-amino-2-(azepan-1-ium-1-ylidene)-N-(4-methoxyanilino)ethanimidoyl cyanide Traditional Name: (2Z)-3-amino-3-(azepan-1-ium-1-ylidene)-2-[(4-methoxyphenyl)hydrazono]propionitrile Formula: C16H22N5O+ MolecularWeight: 300.37878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NN=C(C#N)C(=[N+]2CCCCCC2)N

Isomeric SMILES

COC1=CC=C(C=C1)N/N=C(/C#N)\C(=[N+]2CCCCCC2)N

InChI

InChI=1S/C16H21N5O/c1-22-14-8-6-13(7-9-14)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