1-(3-methylphenyl)sulfonyl-1,4-diazepan-4-ium

Systemtic Name: 1-(3-methylphenyl)sulfonyl-1,4-diazepan-4-ium Openeye Name: 1-(m-tolylsulfonyl)-1,4-diazepan-4-ium CAS Name: 1-(3-methylphenyl)sulfonyl-1,4-diazepan-4-ium IUPAC Name: 1-(3-methylphenyl)sulfonyl-1,4-diazepan-4-ium Traditional Name: 1-(m-tolylsulfonyl)-1,4-diazepan-4-ium Formula: C12H19N2O2S+ MolecularWeight: 255.35646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C12H18N2O2S/c1-11-4-2-5-12(10-11)17(15,16)14-8-3-6-13-7-9-14/h2,4-5,10,13H,3,6-9H2,1H3/p+1