1-(4-phenylcyclohexyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(4-phenylcyclohexyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(4-phenylcyclohexyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-(4-phenylcyclohexyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(4-phenylcyclohexyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4-phenylcyclohexyl)-4-(2,4,5-trimethoxybenzyl)piperazine-1,4-diium Formula: C26H38N2O3+2 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)C3CCC(CC3)C4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)C3CCC(CC3)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C26H36N2O3/c1-29-24-18-26(31-3)25(30-2)17-22(24)19-27-13-15-28(16-14-27)23-11-9-21(10-12-23)20-7-5-4-6-8-20/h4-8,17-18,21,23H,9-16,19H2,1-3H3/p+2