1,3-benzodioxol-5-ylmethyl-[[5-[4-[(1R)-1-oxidanylethyl]phenyl]furan-2-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[5-[4-[(1R)-1-oxidanylethyl]phenyl]furan-2-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-furyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-furanyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium Traditional Name: [5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-furyl]methyl-piperonyl-ammonium Formula: C21H22NO4+ MolecularWeight: 352.40368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C21H21NO4/c1-14(23)16-3-5-17(6-4-16)19-9-7-18(26-19)12-22-11-15-2-8-20-21(10-15)25-13-24-20/h2-10,14,22-23H,11-13H2,1H3/p+1/t14-/m1/s1