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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-iumyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-4-methylpiperazine-1,4-diium Traditional Name: 1-methyl-4-(1-piperonylpiperidin-1-ium-4-yl)piperazine-1,4-diium Formula: C18H30N3O2+3 MolecularWeight: 320.4497

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H27N3O2/c1-19-8-10-21(11-9-19)16-4-6-20(7-5-16)13-15-2-3-17-18(12-15)23-14-22-17/h2-3,12,16H,4-11,13-14H2,1H3/p+3