[2-(3-nitrophenyl)-2-oxidanyl-ethyl]-(4-phenylbutan-2-yl)-prop-2-enyl-azanium chloride

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanyl-ethyl]-(4-phenylbutan-2-yl)-prop-2-enyl-azanium chloride Openeye Name: allyl-[2-hydroxy-2-(3-nitrophenyl)ethyl]-(1-methyl-3-phenyl-propyl)ammonium chloride CAS Name: [2-hydroxy-2-(3-nitrophenyl)ethyl]-(4-phenylbutan-2-yl)-prop-2-enylammonium chloride IUPAC Name: [2-hydroxy-2-(3-nitrophenyl)ethyl]-(4-phenylbutan-2-yl)-prop-2-enylazanium chloride Traditional Name: allyl-[2-hydroxy-2-(3-nitrophenyl)ethyl]-(1-methyl-3-phenyl-propyl)ammonium chloride Formula: C21H27ClN2O3 MolecularWeight: 390.90368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3.ClH/c1-3-14-22(17(2)12-13-18-8-5-4-6-9-18)16-21(24)19-10-7-11-20(15-19)23(25)26;/h3-11,15,17,21,24H,1,12-14,16H2,2H3;1H