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

Systemtic Name: 3-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile CAS Name: 3-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile IUPAC Name: 3-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile Traditional Name: 3-[(4-mesyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile Formula: C14H20N3O2S+ MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC[NH+](CC1)CC2=CC=CC(=C2)C#N

Isomeric SMILES

CS(=O)(=O)N1CCC[NH+](CC1)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H19N3O2S/c1-20(18,19)17-7-3-6-16(8-9-17)12-14-5-2-4-13(10-14)11-15/h2,4-5,10H,3,6-9,12H2,1H3/p+1