[(1S)-1-(3-fluorophenyl)-2-[(4-pyrrol-1-ylphenyl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(3-fluorophenyl)-2-[(4-pyrrol-1-ylphenyl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(3-fluorophenyl)-2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(3-fluorophenyl)-2-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(3-fluorophenyl)-2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(3-fluorophenyl)-2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]-dimethyl-ammonium Formula: C21H23FN3O+ MolecularWeight: 352.425223

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC=C(C=C1)N2C=CC=C2)C3=CC(=CC=C3)F

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC=C(C=C1)N2C=CC=C2)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H22FN3O/c1-24(2)20(17-6-5-7-18(22)14-17)15-23-21(26)16-8-10-19(11-9-16)25-12-3-4-13-25/h3-14,20H,15H2,1-2H3,(H,23,26)/p+1/t20-/m1/s1