tert-butyl-[3-[2-[(Z)-3-oxidanylidene-1-phenyl-but-1-en-2-yl]oxyphenoxy]propyl]azanium chloride

Systemtic Name: tert-butyl-[3-[2-[(Z)-3-oxidanylidene-1-phenyl-but-1-en-2-yl]oxyphenoxy]propyl]azanium chloride Openeye Name: 3-[2-[(1Z)-1-benzylidene-2-oxo-propoxy]phenoxy]propyl-tert-butyl-ammonium chloride CAS Name: tert-butyl-[3-[2-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]propyl]ammonium chloride IUPAC Name: tert-butyl-[3-[2-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]propyl]azanium chloride Traditional Name: 3-[2-[(Z)-1-acetyl-2-phenyl-vinyloxy]phenoxy]propyl-tert-butyl-ammonium chloride Formula: C23H30ClNO3 MolecularWeight: 403.9422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1)OC2=CC=CC=C2OCCC[NH2+]C(C)(C)C.[Cl-]

Isomeric SMILES

CC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=CC=C2OCCC[NH2+]C(C)(C)C.[Cl-]

InChI

InChI=1S/C23H29NO3.ClH/c1-18(25)22(17-19-11-6-5-7-12-19)27-21-14-9-8-13-20(21)26-16-10-15-24-23(2,3)4;/h5-9,11-14,17,24H,10,15-16H2,1-4H3;1H/b22-17-;