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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: [4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-benzyl]-piperonyl-ammonium Formula: C24H34N2O6+2 MolecularWeight: 446.53656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC(C[NH+]4CCC(CC4)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OC[C@@H](C[NH+]4CCC(CC4)O)O

InChI

InChI=1S/C24H32N2O6/c1-29-23-10-17(12-25-13-18-3-5-22-24(11-18)32-16-31-22)2-4-21(23)30-15-20(28)14-26-8-6-19(27)7-9-26/h2-5,10-11,19-20,25,27-28H,6-9,12-16H2,1H3/p+2/t20-/m1/s1