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

Systemtic Name: [3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(2-methylprop-2-enyl)azanium Openeye Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-methyl-(2-methylallyl)ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-methyl-(2-methylprop-2-enyl)ammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-methyl-(2-methylprop-2-enyl)azanium Traditional Name: [3-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-methyl-(2-methylallyl)ammonium Formula: C22H36N2O4+2 MolecularWeight: 392.53224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O4/c1-17(2)13-23(3)14-18-6-5-7-21(12-18)28-16-20(25)15-24-10-8-19(9-11-24)22(26)27-4/h5-7,12,19-20,25H,1,8-11,13-16H2,2-4H3/p+2/t20-/m0/s1