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

Systemtic Name: (2Z)-3-azanyl-3-(azepan-1-ium-1-ylidene)-2-[(4-chlorophenyl)hydrazinylidene]propanenitrile Openeye Name: (1Z)-2-amino-2-(azepan-1-ium-1-ylidene)-N-(4-chloroanilino)acetimidoyl cyanide CAS Name: (2Z)-3-amino-3-(1-azepan-1-iumylidene)-2-[(4-chlorophenyl)hydrazinylidene]propanenitrile IUPAC Name: (1Z)-2-amino-2-(azepan-1-ium-1-ylidene)-N-(4-chloroanilino)ethanimidoyl cyanide Traditional Name: (2Z)-3-amino-3-(azepan-1-ium-1-ylidene)-2-[(4-chlorophenyl)hydrazono]propionitrile Formula: C15H19ClN5+ MolecularWeight: 304.79786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+](=C(C(=NNC2=CC=C(C=C2)Cl)C#N)N)CC1

Isomeric SMILES

C1CCC[N+](=C(/C(=N\NC2=CC=C(C=C2)Cl)/C#N)N)CC1

InChI

InChI=1S/C15H18ClN5/c16-12-5-7-13(8-6-12)19-20-14(11-17)15(18)21-9-3-1-2-4-10-21/h5-8H,1-4,9-10H2,(H2,18,19)/p+1