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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5)OC)OC

InChI

InChI=1S/C24H36N2O3/c1-27-21-5-4-18(23(28-2)24(21)29-3)15-25-6-8-26(9-7-25)22-19-11-16-10-17(13-19)14-20(22)12-16/h4-5,16-17,19-20,22H,6-15H2,1-3H3/p+2