1-(2,5-dimethylphenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium Formula: C14H23N2O2S+ MolecularWeight: 283.40962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2S/c1-12-5-6-13(2)14(11-12)19(17,18)16-8-4-7-15(3)9-10-16/h5-6,11H,4,7-10H2,1-3H3/p+1