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

Systemtic Name: cyclohexyl-[[4-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: cyclohexyl-[[4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]ammonium CAS Name: cyclohexyl-[[4-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-[[4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Traditional Name: [4-[(2S)-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=C(C=C2)C[NH2+]C3CCCCC3)O

Isomeric SMILES

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

InChI

InChI=1S/C23H36N2O4/c1-28-23(27)19-11-13-25(14-12-19)16-21(26)17-29-22-9-7-18(8-10-22)15-24-20-5-3-2-4-6-20/h7-10,19-21,24,26H,2-6,11-17H2,1H3/p+2/t21-/m0/s1