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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromanylfuran-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromo-2-furyl)methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromo-2-furanyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromofuran-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(5-bromo-2-furyl)methyl]-4-piperonyl-piperazin-1-ium Formula: C17H20BrN2O3+ MolecularWeight: 380.2563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)Br)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)Br)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19BrN2O3/c18-17-4-2-14(23-17)11-20-7-5-19(6-8-20)10-13-1-3-15-16(9-13)22-12-21-15/h1-4,9H,5-8,10-12H2/p+1