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

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-(4-phenylcyclohexyl)piperazine-1,4-diium Formula: C25H36N2O2+2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O2/c1-28-24-12-13-25(29-2)22(18-24)19-26-14-16-27(17-15-26)23-10-8-21(9-11-23)20-6-4-3-5-7-20/h3-7,12-13,18,21,23H,8-11,14-17,19H2,1-2H3/p+2