[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(3,4-dimethoxyphenyl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(3,4-dimethoxyphenyl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(3,4-dimethoxyphenyl)methyl]-(3-pyridylmethyl)ammonium CAS Name: [(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl-[(3,4-dimethoxyphenyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(3,4-dimethoxyphenyl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(3-pyridylmethyl)-veratryl-ammonium Formula: C27H41N3O2+2 MolecularWeight: 439.63334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+](CC2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+](C[C@H]2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4)OC

InChI

InChI=1S/C27H39N3O2/c1-31-26-13-12-22(16-27(26)32-2)18-29(19-23-8-6-14-28-17-23)20-24-9-7-15-30(21-24)25-10-4-3-5-11-25/h6,8,12-14,16-17,24-25H,3-5,7,9-11,15,18-21H2,1-2H3/p+2/t24-/m1/s1