4-(3,3-diethyl-4-oxidanylidene-azetidin-2-yl)oxybenzoic acid; 1-phenylethylazanium

Systemtic Name: 4-(3,3-diethyl-4-oxidanylidene-azetidin-2-yl)oxybenzoic acid; 1-phenylethylazanium Openeye Name: 4-(3,3-diethyl-4-oxo-azetidin-2-yl)oxybenzoic acid; 1-phenylethylammonium CAS Name: 4-[(3,3-diethyl-4-oxo-2-azetidinyl)oxy]benzoic acid; 1-phenylethylammonium IUPAC Name: 4-(3,3-diethyl-4-oxoazetidin-2-yl)oxybenzoic acid; 1-phenylethylazanium Traditional Name: 4-(3,3-diethyl-4-keto-azetidin-2-yl)oxybenzoic acid; 1-phenylethylammonium Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(NC1=O)OC2=CC=C(C=C2)C(=O)O)CC.CC(C1=CC=CC=C1)[NH3+]

Isomeric SMILES

CCC1(C(NC1=O)OC2=CC=C(C=C2)C(=O)O)CC.CC(C1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C14H17NO4.C8H11N/c1-3-14(4-2)12(18)15-13(14)19-10-7-5-9(6-8-10)11(16)17;1-7(9)8-5-3-2-4-6-8/h5-8,13H,3-4H2,1-2H3,(H,15,18)(H,16,17);2-7H,9H2,1H3/p+1