[(2S,3R)-3-(1H-indol-3-yl)-4-methoxy-4-oxidanylidene-2-pyridin-4-yl-butyl]azanium

Systemtic Name: [(2S,3R)-3-(1H-indol-3-yl)-4-methoxy-4-oxidanylidene-2-pyridin-4-yl-butyl]azanium Openeye Name: [(2S,3R)-3-(1H-indol-3-yl)-4-methoxy-4-oxo-2-(4-pyridyl)butyl]ammonium CAS Name: [(2S,3R)-3-(1H-indol-3-yl)-4-methoxy-4-oxo-2-pyridin-4-ylbutyl]ammonium IUPAC Name: [(2S,3R)-3-(1H-indol-3-yl)-4-methoxy-4-oxo-2-pyridin-4-ylbutyl]azanium Traditional Name: [(2S,3R)-3-(1H-indol-3-yl)-4-keto-4-methoxy-2-(4-pyridyl)butyl]ammonium Formula: C18H20N3O2+ MolecularWeight: 310.3703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CNC2=CC=CC=C21)C(C[NH3+])C3=CC=NC=C3

Isomeric SMILES

COC(=O)[C@@H](C1=CNC2=CC=CC=C21)[C@H](C[NH3+])C3=CC=NC=C3

InChI

InChI=1S/C18H19N3O2/c1-23-18(22)17(14(10-19)12-6-8-20-9-7-12)15-11-21-16-5-3-2-4-13(15)16/h2-9,11,14,17,21H,10,19H2,1H3/p+1/t14-,17-/m1/s1