1-(2,5-dimethylphenyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-15-4-5-16(2)18(10-15)23-8-6-22(7-9-23)13-17-11-19(24-3)21-20(12-17)25-14-26-21/h4-5,10-12H,6-9,13-14H2,1-3H3/p+1