potassium 2-[2-[(4-methyl-2-oxidanidyl-phenyl)methylideneazaniumyl]ethanoylazanidyl]ethanoate hydrate

Systemtic Name: potassium 2-[2-[(4-methyl-2-oxidanidyl-phenyl)methylideneazaniumyl]ethanoylazanidyl]ethanoate hydrate Openeye Name: potassium 2-[2-[(4-methyl-2-oxido-phenyl)methyleneammonio]acetyl]azanidylacetate hydrate CAS Name: potassium 2-[2-[(4-methyl-2-oxidophenyl)methylideneammonio]-1-oxoethyl]azanidylacetate hydrate IUPAC Name: potassium 2-[2-[(4-methyl-2-oxidophenyl)methylideneazaniumyl]acetyl]azanidylacetate hydrate Traditional Name: potassium 2-[2-(4-methyl-2-oxido-benzylidene)ammonioacetyl]azanidylacetate hydrate Formula: C12H14KN2O5- MolecularWeight: 305.34826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)/C=[NH+]/CC(=O)[N-]CC(=O)[O-])[O-].O.[K+]

InChI

InChI=1S/C12H14N2O4.K.H2O/c1-8-2-3-9(10(15)4-8)5-13-6-11(16)14-7-12(17)18;;/h2-5H,6-7H2,1H3,(H3,13,14,15,16,17,18);;1H2/q;+1;/p-2