4-[3-(dimethylazaniumyl)propylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: 4-[3-(dimethylazaniumyl)propylamino]-4-oxidanylidene-but-2-enoate Openeye Name: 4-[3-(dimethylammonio)propylamino]-4-oxo-but-2-enoate CAS Name: 4-[3-(dimethylammonio)propylamino]-4-oxo-2-butenoate IUPAC Name: 4-[3-(dimethylazaniumyl)propylamino]-4-oxobut-2-enoate Traditional Name: 4-[3-(dimethylammonio)propylamino]-4-keto-but-2-enoate Formula: C9H16N2O3 MolecularWeight: 200.23494

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C=CC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCNC(=O)C=CC(=O)[O-]

InChI

InChI=1S/C9H16N2O3/c1-11(2)7-3-6-10-8(12)4-5-9(13)14/h4-5H,3,6-7H2,1-2H3,(H,10,12)(H,13,14)