1-[(3,4-dimethoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(m-tolylmethyl)piperazin-4-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-methylbenzyl)-4-veratryl-piperazin-1-ium Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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