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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-3-(furan-2-yl)-4-phenyl-butyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-3-(2-furyl)-4-phenyl-butyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-3-(2-furanyl)-4-phenylbutyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium Traditional Name: [(3R)-3-(2-furyl)-4-phenyl-butyl]-piperonyl-ammonium Formula: C22H24NO3+ MolecularWeight: 350.43086

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CCC(CC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC[C@@H](CC3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C22H23NO3/c1-2-5-17(6-3-1)13-19(20-7-4-12-24-20)10-11-23-15-18-8-9-21-22(14-18)26-16-25-21/h1-9,12,14,19,23H,10-11,13,15-16H2/p+1/t19-/m0/s1