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

Systemtic Name: 4-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile CAS Name: 4-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile IUPAC Name: 4-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile Traditional Name: 4-[(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=C(C=C2)C#N

Isomeric SMILES

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

InChI

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