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

Systemtic Name: cyclohexyl-[[3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[3-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]-methylazanium Traditional Name: [3-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-cyclohexyl-methyl-ammonium Formula: C24H40N2O4+2 MolecularWeight: 420.5854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38N2O4/c1-25(21-8-4-3-5-9-21)16-19-7-6-10-23(15-19)30-18-22(27)17-26-13-11-20(12-14-26)24(28)29-2/h6-7,10,15,20-22,27H,3-5,8-9,11-14,16-18H2,1-2H3/p+2/t22-/m0/s1