1,3-benzodioxol-5-ylmethyl-[(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium Traditional Name: [(1R)-2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl]-methyl-piperonyl-ammonium Formula: C23H22FN2O3+ MolecularWeight: 393.430783

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)[C@H](C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C23H21FN2O3/c1-26(14-16-7-12-20-21(13-16)29-15-28-20)22(17-5-3-2-4-6-17)23(27)25-19-10-8-18(24)9-11-19/h2-13,22H,14-15H2,1H3,(H,25,27)/p+1/t22-/m1/s1