1,3-benzodioxol-5-ylmethyl-[[(4R)-2,2-dimethyl-4-oxidanyl-oxan-4-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[(4R)-2,2-dimethyl-4-oxidanyl-oxan-4-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[(4R)-4-hydroxy-2,2-dimethyl-tetrahydropyran-4-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[(4R)-4-hydroxy-2,2-dimethyl-4-oxanyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl]azanium Traditional Name: [(4R)-4-hydroxy-2,2-dimethyl-tetrahydropyran-4-yl]methyl-piperonyl-ammonium Formula: C16H24NO4+ MolecularWeight: 294.36606

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(C[NH2+]CC2=CC3=C(C=C2)OCO3)O)C

Isomeric SMILES

CC1(C[C@](CCO1)(C[NH2+]CC2=CC3=C(C=C2)OCO3)O)C

InChI

InChI=1S/C16H23NO4/c1-15(2)9-16(18,5-6-21-15)10-17-8-12-3-4-13-14(7-12)20-11-19-13/h3-4,7,17-18H,5-6,8-11H2,1-2H3/p+1/t16-/m1/s1