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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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