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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-o-veratryl-4-(3-phenoxybenzyl)piperazin-1-ium Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O3/c1-29-25-13-7-9-22(26(25)30-2)20-28-16-14-27(15-17-28)19-21-8-6-12-24(18-21)31-23-10-4-3-5-11-23/h3-13,18H,14-17,19-20H2,1-2H3/p+1