1-(4-bromanyl-2,5-dimethoxy-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-bromanyl-2,5-dimethoxy-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(4-bromo-2,5-dimethoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(4-bromo-2,5-dimethoxy-phenyl)sulfonyl-piperazin-1-ium Formula: C19H24BrN2O4S+ MolecularWeight: 456.37386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1Br)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1Br)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23BrN2O4S/c1-25-17-13-19(18(26-2)12-16(17)20)27(23,24)22-10-8-21(9-11-22)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3/p+1