[5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-methyl-(2-methylprop-2-enyl)azanium

Systemtic Name: [5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-methyl-(2-methylprop-2-enyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-phenyl]methyl-methyl-(2-methylallyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-5-methoxyphenyl]methyl-methyl-(2-methylprop-2-enyl)ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxyphenyl]methyl-methyl-(2-methylprop-2-enyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-benzyl]-methyl-(2-methylallyl)ammonium Formula: C21H36N2O4+2 MolecularWeight: 380.52154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O4/c1-16(2)12-22(3)13-17-11-20(26-4)5-6-21(17)27-15-19(25)14-23-9-7-18(24)8-10-23/h5-6,11,18-19,24-25H,1,7-10,12-15H2,2-4H3/p+2/t19-/m1/s1