1-(4-bromanyl-2,5-dimethoxy-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-(4-bromanyl-2,5-dimethoxy-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-(4-bromo-2,5-dimethoxy-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(4-bromo-2,5-dimethoxy-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Formula: C17H21BrN3O4S+ MolecularWeight: 443.33534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1Br)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC(=C(C=C1Br)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H20BrN3O4S/c1-24-14-12-16(15(25-2)11-13(14)18)26(22,23)21-9-7-20(8-10-21)17-5-3-4-6-19-17/h3-6,11-12H,7-10H2,1-2H3/p+1