1-(4-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(4-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(p-tolyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-(4-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(4-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(p-tolyl)-4-(3,4,5-trimethoxybenzyl)piperazine-1,4-diium Formula: C21H30N2O3+2 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-16-5-7-18(8-6-16)23-11-9-22(10-12-23)15-17-13-19(24-2)21(26-4)20(14-17)25-3/h5-8,13-14H,9-12,15H2,1-4H3/p+2