1-(5-bromanylthiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Openeye Name: 1-[(5-bromo-2-thienyl)sulfonyl]-4-(2-phenoxyethyl)piperazin-4-ium CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-4-(2-phenoxyethyl)piperazin-4-ium IUPAC Name: 1-(5-bromothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]-4-(2-phenoxyethyl)piperazin-4-ium Formula: C16H20BrN2O3S2+ MolecularWeight: 432.3756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H19BrN2O3S2/c17-15-6-7-16(23-15)24(20,21)19-10-8-18(9-11-19)12-13-22-14-4-2-1-3-5-14/h1-7H,8-13H2/p+1