[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylmethylamino)propan-2-yl]azanium

Systemtic Name: [(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylmethylamino)propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(4-pyridylmethylamino)ethyl]ammonium CAS Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]ammonium IUPAC Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]azanium Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(4-pyridylmethylamino)ethyl]ammonium Formula: C17H19N4O+ MolecularWeight: 295.35896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC3=CC=NC=C3)[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NCC3=CC=NC=C3)[NH3+]

InChI

InChI=1S/C17H18N4O/c18-15(17(22)21-10-12-5-7-19-8-6-12)9-13-11-20-16-4-2-1-3-14(13)16/h1-8,11,15,20H,9-10,18H2,(H,21,22)/p+1/t15-/m0/s1