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

Systemtic Name: 1-[(4-bromanylthiophen-2-yl)methyl]-4-(2-methylphenyl)piperazin-1-ium Openeye Name: 1-[(4-bromo-2-thienyl)methyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-[(4-bromo-2-thiophenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium IUPAC Name: 1-[(4-bromothiophen-2-yl)methyl]-4-(2-methylphenyl)piperazin-1-ium Traditional Name: 1-[(4-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(=CS3)Br

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=CS3)Br

InChI

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