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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylphenyl)piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(o-tolyl)piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylphenyl)piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylphenyl)piperazin-1-ium Traditional Name: 1-(o-tolyl)-4-piperonyl-piperazin-4-ium Formula: C19H23N2O2+ MolecularWeight: 311.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H22N2O2/c1-15-4-2-3-5-17(15)21-10-8-20(9-11-21)13-16-6-7-18-19(12-16)23-14-22-18/h2-7,12H,8-11,13-14H2,1H3/p+1