cyclohexyl-[[3-[(2R)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: cyclohexyl-[[3-[(2R)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: cyclohexyl-[[3-[(2R)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]ammonium CAS Name: cyclohexyl-[[3-[(2R)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-[[3-[(2R)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Traditional Name: [3-[(2R)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-cyclohexyl-ammonium Formula: C23H38N2O4+2 MolecularWeight: 406.55882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=CC(=C2)C[NH2+]C3CCCCC3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@H](COC2=CC=CC(=C2)C[NH2+]C3CCCCC3)O

InChI

InChI=1S/C23H36N2O4/c1-28-23(27)19-10-12-25(13-11-19)16-21(26)17-29-22-9-5-6-18(14-22)15-24-20-7-3-2-4-8-20/h5-6,9,14,19-21,24,26H,2-4,7-8,10-13,15-17H2,1H3/p+2/t21-/m1/s1