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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(m-tolylmethyl)piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-methylbenzyl)-4-piperonyl-piperazine-1,4-diium Formula: C20H26N2O2+2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24N2O2/c1-16-3-2-4-17(11-16)13-21-7-9-22(10-8-21)14-18-5-6-19-20(12-18)24-15-23-19/h2-6,11-12H,7-10,13-15H2,1H3/p+2