cyclohexyl-[[3-[(2S)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]-prop-2-ynyl-azanium

Systemtic Name: cyclohexyl-[[3-[(2S)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]-prop-2-ynyl-azanium Openeye Name: cyclohexyl-[[3-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]phenyl]methyl]-prop-2-ynyl-ammonium CAS Name: cyclohexyl-[[3-[(2S)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]phenyl]methyl]-prop-2-ynylammonium IUPAC Name: cyclohexyl-[[3-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]phenyl]methyl]-prop-2-ynylazanium Traditional Name: cyclohexyl-[3-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]benzyl]-propargyl-ammonium Formula: C24H38N2O3+2 MolecularWeight: 402.57012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC[NH+](CC1=CC(=CC=C1)OCC(C[NH+]2CCC(CC2)O)O)C3CCCCC3

Isomeric SMILES

C#CC[NH+](CC1=CC(=CC=C1)OC[C@H](C[NH+]2CCC(CC2)O)O)C3CCCCC3

InChI

InChI=1S/C24H36N2O3/c1-2-13-26(21-8-4-3-5-9-21)17-20-7-6-10-24(16-20)29-19-23(28)18-25-14-11-22(27)12-15-25/h1,6-7,10,16,21-23,27-28H,3-5,8-9,11-15,17-19H2/p+2/t23-/m0/s1