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

Systemtic Name: [3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(oxan-4-yl)azanium Openeye Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-methyl-tetrahydropyran-4-yl-ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-methyl-(4-oxanyl)ammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-methyl-(oxan-4-yl)azanium Traditional Name: [3-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-methyl-tetrahydropyran-4-yl-ammonium Formula: C23H38N2O5+2 MolecularWeight: 422.55822

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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)C3CCOCC3

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC[C@H](C[NH+]2CCC(CC2)C(=O)OC)O)C3CCOCC3

InChI

InChI=1S/C23H36N2O5/c1-24(20-8-12-29-13-9-20)15-18-4-3-5-22(14-18)30-17-21(26)16-25-10-6-19(7-11-25)23(27)28-2/h3-5,14,19-21,26H,6-13,15-17H2,1-2H3/p+2/t21-/m0/s1