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

Systemtic Name: 1-[(4-bromanylthiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[(4-bromo-2-thienyl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium CAS Name: 1-[(4-bromo-2-thiophenyl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[(4-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium Traditional Name: 1-[(4-bromo-2-thienyl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium Formula: C17H22BrN2S+ MolecularWeight: 366.33898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2S/c1-13-3-4-14(2)17(9-13)20-7-5-19(6-8-20)11-16-10-15(18)12-21-16/h3-4,9-10,12H,5-8,11H2,1-2H3/p+1