1-[(5-bromanylthiophen-2-yl)methyl]-4-(2-methylphenyl)piperazin-1-ium

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)methyl]-4-(2-methylphenyl)piperazin-1-ium Openeye Name: 1-[(5-bromo-2-thienyl)methyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-[(5-bromo-2-thiophenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium IUPAC Name: 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylphenyl)piperazin-1-ium Traditional Name: 1-[(5-bromo-2-thienyl)methyl]-4-(o-tolyl)piperazin-1-ium Formula: C16H20BrN2S+ MolecularWeight: 352.3124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C16H19BrN2S/c1-13-4-2-3-5-15(13)19-10-8-18(9-11-19)12-14-6-7-16(17)20-14/h2-7H,8-12H2,1H3/p+1