1-(4-phenylcyclohexyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(4-phenylcyclohexyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(4-phenylcyclohexyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-(4-phenylcyclohexyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(4-phenylcyclohexyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4-phenylcyclohexyl)-4-(2,3,4-trimethoxybenzyl)piperazine-1,4-diium Formula: C26H38N2O3+2 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CC[NH+](CC2)C3CCC(CC3)C4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CC[NH+](CC2)C3CCC(CC3)C4=CC=CC=C4)OC)OC

InChI

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