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

Systemtic Name: [4-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-bis(prop-2-enyl)azanium Openeye Name: diallyl-[[4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-bis(prop-2-enyl)ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-bis(prop-2-enyl)azanium Traditional Name: diallyl-[4-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]ammonium Formula: C23H36N2O4+2 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C[NH+](CC=C)CC=C)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C[NH+](CC=C)CC=C)O

InChI

InChI=1S/C23H34N2O4/c1-4-12-24(13-5-2)16-19-6-8-22(9-7-19)29-18-21(26)17-25-14-10-20(11-15-25)23(27)28-3/h4-9,20-21,26H,1-2,10-18H2,3H3/p+2/t21-/m0/s1