1-[(4-methylphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(4-methylphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(p-tolylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(4-methylphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(4-methylphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-methylbenzyl)-4-(3,4,5-trimethoxybenzyl)piperazin-4-ium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H30N2O3/c1-17-5-7-18(8-6-17)15-23-9-11-24(12-10-23)16-19-13-20(25-2)22(27-4)21(14-19)26-3/h5-8,13-14H,9-12,15-16H2,1-4H3/p+1