1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-(p-tolylsulfonyl)-1,4-diazepan-1-ium CAS Name: 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-tosyl-1,4-diazepan-1-ium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)C

InChI

InChI=1S/C13H20N2O2S/c1-12-4-6-13(7-5-12)18(16,17)15-9-3-8-14(2)10-11-15/h4-7H,3,8-11H2,1-2H3/p+1