1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-m-anisyl-4-piperonyl-piperazine-1,4-diium Formula: C20H26N2O3+2 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24N2O3/c1-23-18-4-2-3-16(11-18)13-21-7-9-22(10-8-21)14-17-5-6-19-20(12-17)25-15-24-19/h2-6,11-12H,7-10,13-15H2,1H3/p+2