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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylbenzyl)-4-piperonyl-piperazin-1-ium Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-16-3-4-17(2)19(11-16)14-23-9-7-22(8-10-23)13-18-5-6-20-21(12-18)25-15-24-20/h3-6,11-12H,7-10,13-15H2,1-2H3/p+1