2-[6-(5-azanyl-5-oxidanylidene-pent-1-ynyl)-3-naphthalen-2-yl-3-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)indol-1-yl]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[6-(5-azanyl-5-oxidanylidene-pent-1-ynyl)-3-naphthalen-2-yl-3-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)indol-1-yl]ethyl-diethyl-azanium chloride Openeye Name: 2-[6-(5-amino-5-oxo-pent-1-ynyl)-3-hydroxy-3-(2-naphthyl)-2-oxo-4-(trifluoromethyl)indolin-1-yl]ethyl-diethyl-ammonium chloride CAS Name: 2-[6-(5-amino-5-oxopent-1-ynyl)-3-hydroxy-3-(2-naphthalenyl)-2-oxo-4-(trifluoromethyl)-1-indolyl]ethyl-diethylammonium chloride IUPAC Name: 2-[6-(5-amino-5-oxopent-1-ynyl)-3-hydroxy-3-naphthalen-2-yl-2-oxo-4-(trifluoromethyl)indol-1-yl]ethyl-diethylazanium chloride Traditional Name: 2-[6-(5-amino-5-keto-pent-1-ynyl)-3-hydroxy-2-keto-3-(2-naphthyl)-4-(trifluoromethyl)indolin-1-yl]ethyl-diethyl-ammonium chloride Formula: C30H31ClF3N3O3 MolecularWeight: 574.03365

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC(=CC(=C2C(C1=O)(C3=CC4=CC=CC=C4C=C3)O)C(F)(F)F)C#CCCC(=O)N.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC(=CC(=C2C(C1=O)(C3=CC4=CC=CC=C4C=C3)O)C(F)(F)F)C#CCCC(=O)N.[Cl-]

InChI

InChI=1S/C30H30F3N3O3.ClH/c1-3-35(4-2)15-16-36-25-18-20(9-5-8-12-26(34)37)17-24(30(31,32)33)27(25)29(39,28(36)38)23-14-13-21-10-6-7-11-22(21)19-23;/h6-7,10-11,13-14,17-19,39H,3-4,8,12,15-16H2,1-2H3,(H2,34,37);1H