1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromo-2-thienyl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromo-2-thiophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromothiophen-2-yl)methyl]piperazine-1,4-diium Traditional Name: 1-[(4-bromo-2-thienyl)methyl]-4-piperonyl-piperazine-1,4-diium Formula: C17H21BrN2O2S+2 MolecularWeight: 397.32984

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC(=CS4)Br

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC(=CS4)Br

InChI

InChI=1S/C17H19BrN2O2S/c18-14-8-15(23-11-14)10-20-5-3-19(4-6-20)9-13-1-2-16-17(7-13)22-12-21-16/h1-2,7-8,11H,3-6,9-10,12H2/p+2