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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium Traditional Name: 1-(4-phenylcyclohexyl)-4-veratryl-piperazine-1,4-diium Formula: C25H36N2O2+2 MolecularWeight: 396.56554

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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

Isomeric SMILES

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

InChI

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