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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-prop-2-enyl-azanium Openeye Name: allyl-[[4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl-prop-2-enylammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxyphenyl]methyl-prop-2-enylazanium Traditional Name: allyl-[4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-benzyl]ammonium Formula: C19H32N2O4+2 MolecularWeight: 352.46838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC=C)OCC(C[NH+]2CCC(CC2)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC=C)OC[C@@H](C[NH+]2CCC(CC2)O)O

InChI

InChI=1S/C19H30N2O4/c1-3-8-20-12-15-4-5-18(19(11-15)24-2)25-14-17(23)13-21-9-6-16(22)7-10-21/h3-5,11,16-17,20,22-23H,1,6-10,12-14H2,2H3/p+2/t17-/m1/s1