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

Systemtic Name: [(2S)-1-(3-imidazol-1-ylpropylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [(1S)-2-(3-imidazol-1-ylpropylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]ammonium chloride CAS Name: [(2S)-1-[3-(1-imidazolyl)propylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-(3-imidazol-1-ylpropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride Traditional Name: [(1S)-2-(3-imidazol-1-ylpropylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]ammonium chloride Formula: C17H22ClN5O MolecularWeight: 347.84248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCCCN3C=CN=C3)[NH3+].[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NCCCN3C=CN=C3)[NH3+].[Cl-]

InChI

InChI=1S/C17H21N5O.ClH/c18-15(10-13-11-21-16-5-2-1-4-14(13)16)17(23)20-6-3-8-22-9-7-19-12-22;/h1-2,4-5,7,9,11-12,15,21H,3,6,8,10,18H2,(H,20,23);1H/t15-;/m0./s1