1-[(2,5-dimethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(o-tolylmethyl)piperazin-4-ium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-(2-methylbenzyl)piperazin-4-ium Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2/c1-17-6-4-5-7-18(17)15-22-10-12-23(13-11-22)16-19-14-20(24-2)8-9-21(19)25-3/h4-9,14H,10-13,15-16H2,1-3H3/p+1