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

Systemtic Name: [(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]ammonium CAS Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]ammonium IUPAC Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-[2-(2-thienyl)ethylamino]ethyl]ammonium Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCCC3=CC=CS3)[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NCCC3=CC=CS3)[NH3+]

InChI

InChI=1S/C17H19N3OS/c18-15(17(21)19-8-7-13-4-3-9-22-13)10-12-11-20-16-6-2-1-5-14(12)16/h1-6,9,11,15,20H,7-8,10,18H2,(H,19,21)/p+1/t15-/m0/s1