1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-o-veratryl-4-(3,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C23H33N2O5+ MolecularWeight: 417.51852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H32N2O5/c1-26-19-8-6-7-18(22(19)29-4)16-25-11-9-24(10-12-25)15-17-13-20(27-2)23(30-5)21(14-17)28-3/h6-8,13-14H,9-12,15-16H2,1-5H3/p+1