4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzenecarbonitrile

Systemtic Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzenecarbonitrile Openeye Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzonitrile CAS Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzonitrile IUPAC Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzonitrile Traditional Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzonitrile Formula: C13H18N3+ MolecularWeight: 216.30212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3/c1-15-7-2-8-16(10-9-15)13-5-3-12(11-14)4-6-13/h3-6H,2,7-10H2,1H3/p+1