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

Systemtic Name: [(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(2-pyridin-3-ylethylamino)propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-[2-(3-pyridyl)ethylamino]ethyl]ammonium CAS Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-[2-(3-pyridinyl)ethylamino]propan-2-yl]ammonium IUPAC Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-3-ylethylamino)propan-2-yl]azanium Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-[2-(3-pyridyl)ethylamino]ethyl]ammonium Formula: C18H21N4O+ MolecularWeight: 309.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCCC3=CN=CC=C3)[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NCCC3=CN=CC=C3)[NH3+]

InChI

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