(2R)-2-(4-oxidanylidenepentan-2-ylideneazaniumyl)-3-phenyl-propanoate

Systemtic Name: (2R)-2-(4-oxidanylidenepentan-2-ylideneazaniumyl)-3-phenyl-propanoate Openeye Name: (2R)-2-(1-methyl-3-oxo-butylidene)ammonio-3-phenyl-propanoate CAS Name: (2R)-2-(4-oxopentan-2-ylideneammonio)-3-phenylpropanoate IUPAC Name: (2R)-2-(4-oxopentan-2-ylideneazaniumyl)-3-phenylpropanoate Traditional Name: (2R)-2-(3-keto-1-methyl-butylidene)ammonio-3-phenyl-propionate Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH+]C(CC1=CC=CC=C1)C(=O)[O-])CC(=O)C

Isomeric SMILES

CC(=[NH+][C@H](CC1=CC=CC=C1)C(=O)[O-])CC(=O)C

InChI

InChI=1S/C14H17NO3/c1-10(8-11(2)16)15-13(14(17)18)9-12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3,(H,17,18)/t13-/m1/s1