2-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]ethyl-dimethyl-(2-oxidanyl-2-pyridin-3-yl-ethyl)azanium

Systemtic Name: 2-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]ethyl-dimethyl-(2-oxidanyl-2-pyridin-3-yl-ethyl)azanium Openeye Name: 2-[4-(2-ethylthiazol-4-yl)phenyl]ethyl-[2-hydroxy-2-(3-pyridyl)ethyl]-dimethyl-ammonium CAS Name: 2-[4-(2-ethyl-4-thiazolyl)phenyl]ethyl-[2-hydroxy-2-(3-pyridinyl)ethyl]-dimethylammonium IUPAC Name: 2-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]ethyl-(2-hydroxy-2-pyridin-3-ylethyl)-dimethylazanium Traditional Name: 2-[4-(2-ethylthiazol-4-yl)phenyl]ethyl-[2-hydroxy-2-(3-pyridyl)ethyl]-dimethyl-ammonium Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)C2=CC=C(C=C2)CC[N+](C)(C)CC(C3=CN=CC=C3)O

Isomeric SMILES

CCC1=NC(=CS1)C2=CC=C(C=C2)CC[N+](C)(C)CC(C3=CN=CC=C3)O

InChI

InChI=1S/C22H28N3OS/c1-4-22-24-20(16-27-22)18-9-7-17(8-10-18)11-13-25(2,3)15-21(26)19-6-5-12-23-14-19/h5-10,12,14,16,21,26H,4,11,13,15H2,1-3H3/q+1