[(1S)-2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]-(1,3-benzodioxol-5-ylmethyl)-methyl-azanium

Systemtic Name: [(1S)-2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]-(1,3-benzodioxol-5-ylmethyl)-methyl-azanium Openeye Name: [(1S)-2-amino-1-(4-fluorophenyl)-2-oxo-ethyl]-(1,3-benzodioxol-5-ylmethyl)-methyl-ammonium CAS Name: [(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-(1,3-benzodioxol-5-ylmethyl)-methylammonium IUPAC Name: [(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-(1,3-benzodioxol-5-ylmethyl)-methylazanium Traditional Name: [(1S)-2-amino-1-(4-fluorophenyl)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C17H18FN2O3+ MolecularWeight: 317.334823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN2O3/c1-20(9-11-2-7-14-15(8-11)23-10-22-14)16(17(19)21)12-3-5-13(18)6-4-12/h2-8,16H,9-10H2,1H3,(H2,19,21)/p+1/t16-/m0/s1