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

Systemtic Name: [4-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-isopropoxypropyl)ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: [4-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(3-isopropoxypropyl)ammonium Formula: C23H40N2O5+2 MolecularWeight: 424.5741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]CC1=CC=C(C=C1)OCC(C[NH+]2CCC(CC2)C(=O)OC)O

Isomeric SMILES

CC(C)OCCC[NH2+]CC1=CC=C(C=C1)OC[C@H](C[NH+]2CCC(CC2)C(=O)OC)O

InChI

InChI=1S/C23H38N2O5/c1-18(2)29-14-4-11-24-15-19-5-7-22(8-6-19)30-17-21(26)16-25-12-9-20(10-13-25)23(27)28-3/h5-8,18,20-21,24,26H,4,9-17H2,1-3H3/p+2/t21-/m0/s1