[(2S)-1-[(3-fluorophenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[(3-fluorophenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(3-fluoroanilino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(3-fluoroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-(3-fluoroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-(3-fluoroanilino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]ammonium Formula: C17H17FN3O+ MolecularWeight: 298.334783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC3=CC(=CC=C3)F)[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NC3=CC(=CC=C3)F)[NH3+]

InChI

InChI=1S/C17H16FN3O/c18-12-4-3-5-13(9-12)21-17(22)15(19)8-11-10-20-16-7-2-1-6-14(11)16/h1-7,9-10,15,20H,8,19H2,(H,21,22)/p+1/t15-/m0/s1