[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(4-methoxy-2-oxidanyl-phenyl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(4-methoxy-2-oxidanyl-phenyl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(2-hydroxy-4-methoxy-phenyl)methyl]-(3-pyridylmethyl)ammonium CAS Name: [(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl-[(2-hydroxy-4-methoxyphenyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(2-hydroxy-4-methoxyphenyl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(2-hydroxy-4-methoxy-benzyl)-(3-pyridylmethyl)ammonium Formula: C26H39N3O2+2 MolecularWeight: 425.60676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O2/c1-31-25-12-11-23(26(30)15-25)20-28(17-21-7-5-13-27-16-21)18-22-8-6-14-29(19-22)24-9-3-2-4-10-24/h5,7,11-13,15-16,22,24,30H,2-4,6,8-10,14,17-20H2,1H3/p+2/t22-/m1/s1