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

Systemtic Name: [3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-methoxy-2-methyl-propyl)azanium Openeye Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-methoxy-2-methyl-propyl)ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-(2-methoxy-2-methylpropyl)ammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-methoxy-2-methylpropyl)azanium Traditional Name: [3-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(2-methoxy-2-methyl-propyl)ammonium Formula: C22H38N2O5+2 MolecularWeight: 410.54752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O5/c1-22(2,28-4)16-23-13-17-6-5-7-20(12-17)29-15-19(25)14-24-10-8-18(9-11-24)21(26)27-3/h5-7,12,18-19,23,25H,8-11,13-16H2,1-4H3/p+2/t19-/m0/s1