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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-methoxy-2,5-dimethyl-benzyl)-4-piperonyl-piperazin-1-ium Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-16-11-21(25-3)17(2)10-19(16)14-24-8-6-23(7-9-24)13-18-4-5-20-22(12-18)27-15-26-20/h4-5,10-12H,6-9,13-15H2,1-3H3/p+1