3-[(2S,3R)-2-carboxy-1-[(2,4-dimethoxyphenyl)methyl]-4-oxidanylidene-azetidin-3-yl]propylazanium ethanoate

Systemtic Name: 3-[(2S,3R)-2-carboxy-1-[(2,4-dimethoxyphenyl)methyl]-4-oxidanylidene-azetidin-3-yl]propylazanium ethanoate Openeye Name: 3-[(2S,3R)-2-carboxy-1-[(2,4-dimethoxyphenyl)methyl]-4-oxo-azetidin-3-yl]propylammonium acetate CAS Name: 3-[(2S,3R)-2-carboxy-1-[(2,4-dimethoxyphenyl)methyl]-4-oxo-3-azetidinyl]propylammonium acetate IUPAC Name: 3-[(2S,3R)-2-carboxy-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidin-3-yl]propylazanium acetate Traditional Name: 3-[(2S,3R)-2-carboxy-1-(2,4-dimethoxybenzyl)-4-keto-azetidin-3-yl]propylammonium acetate Formula: C18H26N2O7 MolecularWeight: 382.40824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC1=CC(=C(C=C1)CN2C(C(C2=O)CCC[NH3+])C(=O)O)OC

Isomeric SMILES

CC(=O)[O-].COC1=CC(=C(C=C1)CN2[C@@H]([C@H](C2=O)CCC[NH3+])C(=O)O)OC

InChI

InChI=1S/C16H22N2O5.C2H4O2/c1-22-11-6-5-10(13(8-11)23-2)9-18-14(16(20)21)12(15(18)19)4-3-7-17;1-2(3)4/h5-6,8,12,14H,3-4,7,9,17H2,1-2H3,(H,20,21);1H3,(H,3,4)/t12-,14+;/m1./s1