1-(2-adamantyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(2-adamantyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(2-adamantyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-(2-adamantyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(2-adamantyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2-adamantyl)-4-(3,4,5-trimethoxybenzyl)piperazine-1,4-diium Formula: C24H38N2O3+2 MolecularWeight: 402.57012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H36N2O3/c1-27-21-13-18(14-22(28-2)24(21)29-3)15-25-4-6-26(7-5-25)23-19-9-16-8-17(11-19)12-20(23)10-16/h13-14,16-17,19-20,23H,4-12,15H2,1-3H3/p+2