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

Systemtic Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(3-ethoxy-2-oxidanyl-phenyl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(3-ethoxy-2-hydroxy-phenyl)methyl]-(3-pyridylmethyl)ammonium CAS Name: [(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl-[(3-ethoxy-2-hydroxyphenyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(3-ethoxy-2-hydroxyphenyl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(3-ethoxy-2-hydroxy-benzyl)-(3-pyridylmethyl)ammonium Formula: C27H41N3O2+2 MolecularWeight: 439.63334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+](CC2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+](C[C@H]2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

InChI

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