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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-16-4-3-5-17(10-16)13-22-6-8-23(9-7-22)14-18-11-19(24-2)21-20(12-18)25-15-26-21/h3-5,10-12H,6-9,13-15H2,1-2H3/p+1