1-[(3-bromophenyl)methyl]-4-(5-chloranylthiophen-2-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(5-chloranylthiophen-2-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-[(5-chloro-2-thiophenyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-bromobenzyl)-4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium Formula: C15H17BrClN2O2S2+ MolecularWeight: 436.79468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C15H16BrClN2O2S2/c16-13-3-1-2-12(10-13)11-18-6-8-19(9-7-18)23(20,21)15-5-4-14(17)22-15/h1-5,10H,6-9,11H2/p+1