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

Systemtic Name: 1-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-4-(2-thenyl)piperazin-4-ium Formula: C17H22BrN2O4S2+ MolecularWeight: 462.40158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C17H21BrN2O4S2/c1-23-15-10-14(18)17(11-16(15)24-2)26(21,22)20-7-5-19(6-8-20)12-13-4-3-9-25-13/h3-4,9-11H,5-8,12H2,1-2H3/p+1