1-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-4-ium

Systemtic Name: 1-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-4-ium Openeye Name: 1-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-4-ium CAS Name: 1-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-4-ium IUPAC Name: 1-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-4-ium Traditional Name: 1-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-4-ium Formula: C13H21N2O4S+ MolecularWeight: 301.38184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC[NH2+]CC2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C13H20N2O4S/c1-18-11-4-5-12(19-2)13(10-11)20(16,17)15-8-3-6-14-7-9-15/h4-5,10,14H,3,6-9H2,1-2H3/p+1