1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-(2,5-dimethoxybenzyl)piperazin-4-ium Formula: C28H35N2O4+ MolecularWeight: 463.5885

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C28H34N2O4/c1-31-25-10-12-26(32-2)24(18-25)20-30-15-13-29(14-16-30)19-23-9-11-27(33-3)28(17-23)34-21-22-7-5-4-6-8-22/h4-12,17-18H,13-16,19-21H2,1-3H3/p+1