5-azanyl-2-(4-methylpiperazin-4-ium-1-yl)benzenecarbonitrile

Systemtic Name: 5-azanyl-2-(4-methylpiperazin-4-ium-1-yl)benzenecarbonitrile Openeye Name: 5-amino-2-(4-methylpiperazin-4-ium-1-yl)benzonitrile CAS Name: 5-amino-2-(4-methyl-1-piperazin-4-iumyl)benzonitrile IUPAC Name: 5-amino-2-(4-methylpiperazin-4-ium-1-yl)benzonitrile Traditional Name: 5-amino-2-(4-methylpiperazin-4-ium-1-yl)benzonitrile Formula: C12H17N4+ MolecularWeight: 217.29018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)N)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)N)C#N

InChI

InChI=1S/C12H16N4/c1-15-4-6-16(7-5-15)12-3-2-11(14)8-10(12)9-13/h2-3,8H,4-7,14H2,1H3/p+1