2,6-dimethoxy-4-[[4-[(3-phenoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2,6-dimethoxy-4-[[4-[(3-phenoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2,6-dimethoxy-4-[[4-[(3-phenoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2,6-dimethoxy-4-[[4-[(3-phenoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[4-[(3-phenoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[[4-(3-phenoxybenzyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C26H31N2O4+ MolecularWeight: 435.53534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O4/c1-30-24-16-21(17-25(31-2)26(24)29)19-28-13-11-27(12-14-28)18-20-7-6-10-23(15-20)32-22-8-4-3-5-9-22/h3-10,15-17,29H,11-14,18-19H2,1-2H3/p+1