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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4)OC

InChI

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