1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(o-tolylmethyl)piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-methylbenzyl)-4-piperonyl-piperazin-1-ium Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

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