1-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-furylmethyl)piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-furanylmethyl)piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(2-furfuryl)-4-piperonyl-piperazin-1-ium Formula: C17H21N2O3+ MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H20N2O3/c1-2-15(20-9-1)12-19-7-5-18(6-8-19)11-14-3-4-16-17(10-14)22-13-21-16/h1-4,9-10H,5-8,11-13H2/p+1