1-ethyl-2-oxidanyl-4-oxidanylidene-N-(4-phenyl-5-tetradecyl-1,3-thiazol-2-yl)-3H-quinolin-1-ium-3-carboxamide

Systemtic Name: 1-ethyl-2-oxidanyl-4-oxidanylidene-N-(4-phenyl-5-tetradecyl-1,3-thiazol-2-yl)-3H-quinolin-1-ium-3-carboxamide Openeye Name: 1-ethyl-2-hydroxy-4-oxo-N-(4-phenyl-5-tetradecyl-thiazol-2-yl)-3H-quinolin-1-ium-3-carboxamide CAS Name: 1-ethyl-2-hydroxy-4-oxo-N-(4-phenyl-5-tetradecyl-2-thiazolyl)-3H-quinolin-1-ium-3-carboxamide IUPAC Name: 1-ethyl-2-hydroxy-4-oxo-N-(4-phenyl-5-tetradecyl-1,3-thiazol-2-yl)-3H-quinolin-1-ium-3-carboxamide Traditional Name: 1-ethyl-2-hydroxy-4-keto-N-(5-myristyl-4-phenyl-thiazol-2-yl)-3H-quinolin-1-ium-3-carboxamide Formula: C35H46N3O3S+ MolecularWeight: 588.82304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=C(N=C(S1)NC(=O)C2C(=O)C3=CC=CC=C3[N+](=C2O)CC)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCC1=C(N=C(S1)NC(=O)C2C(=O)C3=CC=CC=C3[N+](=C2O)CC)C4=CC=CC=C4

InChI

InChI=1S/C35H45N3O3S/c1-3-5-6-7-8-9-10-11-12-13-14-18-25-29-31(26-21-16-15-17-22-26)36-35(42-29)37-33(40)30-32(39)27-23-19-20-24-28(27)38(4-2)34(30)41/h15-17,19-24,30H,3-14,18,25H2,1-2H3,(H,36,37,40)/p+1