N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-sulfonamide

Systemtic Name: N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-sulfonamide Openeye Name: N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-sulfonamide CAS Name: N-(3,4-dimethoxyphenyl)-1-piperazin-4-iumsulfonamide IUPAC Name: N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-sulfonamide Traditional Name: N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-sulfonamide Formula: C12H20N3O4S+ MolecularWeight: 302.3699

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)N2CC[NH2+]CC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)N2CC[NH2+]CC2)OC

InChI

InChI=1S/C12H19N3O4S/c1-18-11-4-3-10(9-12(11)19-2)14-20(16,17)15-7-5-13-6-8-15/h3-4,9,13-14H,5-8H2,1-2H3/p+1