[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(2-pyridin-2-ylethylamino)propan-2-yl]azanium chloride

Systemtic Name: [(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(2-pyridin-2-ylethylamino)propan-2-yl]azanium chloride Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-[2-(2-pyridyl)ethylamino]ethyl]ammonium chloride CAS Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-[2-(2-pyridinyl)ethylamino]propan-2-yl]ammonium chloride IUPAC Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]azanium chloride Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-[2-(2-pyridyl)ethylamino]ethyl]ammonium chloride Formula: C18H21ClN4O MolecularWeight: 344.83854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCCC3=CC=CC=N3)[NH3+].[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NCCC3=CC=CC=N3)[NH3+].[Cl-]

InChI

InChI=1S/C18H20N4O.ClH/c19-16(11-13-12-22-17-7-2-1-6-15(13)17)18(23)21-10-8-14-5-3-4-9-20-14;/h1-7,9,12,16,22H,8,10-11,19H2,(H,21,23);1H/t16-;/m0./s1