3-(3,4-dimethoxyphenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane

Systemtic Name: 3-(3,4-dimethoxyphenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane Openeye Name: 3-(3,4-dimethoxyphenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane CAS Name: 3-(3,4-dimethoxyphenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane IUPAC Name: 3-(3,4-dimethoxyphenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane Traditional Name: 3-(3,4-dimethoxyphenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane Formula: C13H21N3O4S+2 MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2C[NH+]3CC[NH+](C3)C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2C[NH+]3CC[NH+](C3)C2)OC

InChI

InChI=1S/C13H19N3O4S/c1-19-12-4-3-11(7-13(12)20-2)21(17,18)16-9-14-5-6-15(8-14)10-16/h3-4,7H,5-6,8-10H2,1-2H3/p+2