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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dimethylphenyl)piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dimethylphenyl)piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dimethylphenyl)piperazin-1-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-piperonyl-piperazin-4-ium Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H24N2O2/c1-15-4-3-5-18(16(15)2)22-10-8-21(9-11-22)13-17-6-7-19-20(12-17)24-14-23-19/h3-7,12H,8-11,13-14H2,1-2H3/p+1