1-[(5-bromanylthiophen-2-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium CAS Name: 1-[(5-bromo-2-thiophenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(5-bromothiophen-2-yl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium Formula: C16H21BrN2S+2 MolecularWeight: 353.32034

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC=C(S3)Br

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC=C(S3)Br

InChI

InChI=1S/C16H19BrN2S/c17-16-7-6-15(20-16)13-19-10-8-18(9-11-19)12-14-4-2-1-3-5-14/h1-7H,8-13H2/p+2