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

Systemtic Name: [(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]ammonium IUPAC Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]azanium Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C16H18N3OS+ MolecularWeight: 300.39862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC3=CC=CS3)[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NCC3=CC=CS3)[NH3+]

InChI

InChI=1S/C16H17N3OS/c17-14(16(20)19-10-12-4-3-7-21-12)8-11-9-18-15-6-2-1-5-13(11)15/h1-7,9,14,18H,8,10,17H2,(H,19,20)/p+1/t14-/m0/s1