[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(2,5-dimethoxyphenyl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(2,5-dimethoxyphenyl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(2,5-dimethoxyphenyl)methyl]-(3-pyridylmethyl)ammonium CAS Name: [(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl-[(2,5-dimethoxyphenyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(2,5-dimethoxyphenyl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(2,5-dimethoxybenzyl)-(3-pyridylmethyl)ammonium Formula: C27H41N3O2+2 MolecularWeight: 439.63334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N3O2/c1-31-26-12-13-27(32-2)24(16-26)21-29(18-22-8-6-14-28-17-22)19-23-9-7-15-30(20-23)25-10-4-3-5-11-25/h6,8,12-14,16-17,23,25H,3-5,7,9-11,15,18-21H2,1-2H3/p+2/t23-/m1/s1