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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-3-(4-fluorophenyl)-3-(2-furyl)propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-3-(4-fluorophenyl)-3-(2-furanyl)propyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium Traditional Name: [(3R)-3-(4-fluorophenyl)-3-(2-furyl)propyl]-piperonyl-ammonium Formula: C21H21FNO3+ MolecularWeight: 354.394743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FNO3/c22-17-6-4-16(5-7-17)18(19-2-1-11-24-19)9-10-23-13-15-3-8-20-21(12-15)26-14-25-20/h1-8,11-12,18,23H,9-10,13-14H2/p+1/t18-/m1/s1