3-(3-ethyl-2-oxidanylidene-3-phenyl-indol-1-yl)propyl-dimethyl-azanium chloride

Systemtic Name: 3-(3-ethyl-2-oxidanylidene-3-phenyl-indol-1-yl)propyl-dimethyl-azanium chloride Openeye Name: 3-(3-ethyl-2-oxo-3-phenyl-indolin-1-yl)propyl-dimethyl-ammonium chloride CAS Name: 3-(3-ethyl-2-oxo-3-phenyl-1-indolyl)propyl-dimethylammonium chloride IUPAC Name: 3-(3-ethyl-2-oxo-3-phenylindol-1-yl)propyl-dimethylazanium chloride Traditional Name: 3-(3-ethyl-2-keto-3-phenyl-indolin-1-yl)propyl-dimethyl-ammonium chloride Formula: C21H27ClN2O MolecularWeight: 358.90488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2N(C1=O)CCC[NH+](C)C)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCC1(C2=CC=CC=C2N(C1=O)CCC[NH+](C)C)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H26N2O.ClH/c1-4-21(17-11-6-5-7-12-17)18-13-8-9-14-19(18)23(20(21)24)16-10-15-22(2)3;/h5-9,11-14H,4,10,15-16H2,1-3H3;1H