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

Systemtic Name: 4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonylmethyl]benzonitrile CAS Name: 4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonylmethyl]benzonitrile IUPAC Name: 4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonylmethyl]benzonitrile Traditional Name: 4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonylmethyl]benzonitrile Formula: C14H20N3O2S+ MolecularWeight: 294.3925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C[NH+]1CCCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H19N3O2S/c1-16-7-2-8-17(10-9-16)20(18,19)12-14-5-3-13(11-15)4-6-14/h3-6H,2,7-10,12H2,1H3/p+1