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

Systemtic Name: (2Z)-3-azanyl-3-(azepan-1-ium-1-ylidene)-2-[(3-fluorophenyl)hydrazinylidene]propanenitrile Openeye Name: (1Z)-2-amino-2-(azepan-1-ium-1-ylidene)-N-(3-fluoroanilino)acetimidoyl cyanide CAS Name: (2Z)-3-amino-3-(1-azepan-1-iumylidene)-2-[(3-fluorophenyl)hydrazinylidene]propanenitrile IUPAC Name: (1Z)-2-amino-2-(azepan-1-ium-1-ylidene)-N-(3-fluoroanilino)ethanimidoyl cyanide Traditional Name: (2Z)-3-amino-3-(azepan-1-ium-1-ylidene)-2-[(3-fluorophenyl)hydrazono]propionitrile Formula: C15H19FN5+ MolecularWeight: 288.343263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18FN5/c16-12-6-5-7-13(10-12)19-20-14(11-17)15(18)21-8-3-1-2-4-9-21/h5-7,10H,1-4,8-9H2,(H2,18,19)/p+1