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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromanylthiophen-2-yl)methyl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromo-2-thienyl)methyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromo-2-thiophenyl)methyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromothiophen-2-yl)methyl]piperazin-1-ium Traditional Name: 1-[(4-bromo-2-thienyl)methyl]-4-piperonyl-piperazin-4-ium Formula: C17H20BrN2O2S+ MolecularWeight: 396.3219

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC(=CS4)Br

Isomeric SMILES

C1CN(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+1