(1-oxidanylcyclohexyl)methyl-[[2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: (1-oxidanylcyclohexyl)methyl-[[2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (1-hydroxycyclohexyl)methyl-[[2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]ammonium CAS Name: (1-hydroxycyclohexyl)methyl-[[2-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: (1-hydroxycyclohexyl)methyl-[[2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]azanium Traditional Name: (1-hydroxycyclohexyl)methyl-[2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]ammonium Formula: C22H38N2O3+2 MolecularWeight: 378.54872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C[NH2+]CC2=CC=CC=C2OCC(C[NH+]3CCCCC3)O)O

Isomeric SMILES

C1CCC(CC1)(C[NH2+]CC2=CC=CC=C2OC[C@H](C[NH+]3CCCCC3)O)O

InChI

InChI=1S/C22H36N2O3/c25-20(16-24-13-7-2-8-14-24)17-27-21-10-4-3-9-19(21)15-23-18-22(26)11-5-1-6-12-22/h3-4,9-10,20,23,25-26H,1-2,5-8,11-18H2/p+2/t20-/m0/s1