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

Systemtic Name: 1-(5-bromanyl-2-methyl-phenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(5-bromo-2-methyl-phenyl)sulfonyl-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-(5-bromo-2-methylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-(5-bromo-2-methylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(5-bromo-2-methyl-phenyl)sulfonyl-4-(2-thenyl)piperazin-4-ium Formula: C16H20BrN2O2S2+ MolecularWeight: 416.3762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C16H19BrN2O2S2/c1-13-4-5-14(17)11-16(13)23(20,21)19-8-6-18(7-9-19)12-15-3-2-10-22-15/h2-5,10-11H,6-9,12H2,1H3/p+1