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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methyl-2-furyl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methyl-2-furanyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1,4-diium Traditional Name: 1-[(5-methyl-2-furyl)methyl]-4-piperonyl-piperazine-1,4-diium Formula: C18H24N2O3+2 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H22N2O3/c1-14-2-4-16(23-14)12-20-8-6-19(7-9-20)11-15-3-5-17-18(10-15)22-13-21-17/h2-5,10H,6-9,11-13H2,1H3/p+2