3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile CAS Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile IUPAC Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile Traditional Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile Formula: C14H20N3+ MolecularWeight: 230.3287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC=CC(=C2)C#N

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H19N3/c1-16-6-3-7-17(9-8-16)12-14-5-2-4-13(10-14)11-15/h2,4-5,10H,3,6-9,12H2,1H3/p+1