1-cyclohexyl-4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-cyclohexyl-4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-cyclohexyl-piperazine-1,4-diium CAS Name: 1-cyclohexyl-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-cyclohexyl-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-cyclohexyl-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)C3CCCCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)C3CCCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H34N2O2/c1-28-24-13-12-22(18-25(24)29-20-21-8-4-2-5-9-21)19-26-14-16-27(17-15-26)23-10-6-3-7-11-23/h2,4-5,8-9,12-13,18,23H,3,6-7,10-11,14-17,19-20H2,1H3/p+2