1-[[(E)-6-azanyl-2-methylidene-6-oxidanylidene-hex-4-enoyl]amino]propyl-trimethyl-azanium chloride

Systemtic Name: 1-[[(E)-6-azanyl-2-methylidene-6-oxidanylidene-hex-4-enoyl]amino]propyl-trimethyl-azanium chloride Openeye Name: 1-[[(E)-6-amino-2-methylene-6-oxo-hex-4-enoyl]amino]propyl-trimethyl-ammonium chloride CAS Name: 1-[[(E)-6-amino-2-methylene-1,6-dioxohex-4-enyl]amino]propyl-trimethylammonium chloride IUPAC Name: 1-[[(E)-6-amino-2-methylidene-6-oxohex-4-enoyl]amino]propyl-trimethylazanium chloride Traditional Name: 1-[[(E)-6-amino-6-keto-2-methylene-hex-4-enoyl]amino]propyl-trimethyl-ammonium chloride Formula: C13H24ClN3O2 MolecularWeight: 289.80156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)C(=C)CC=CC(=O)N)[N+](C)(C)C.[Cl-]

Isomeric SMILES

CCC(NC(=O)C(=C)C/C=C/C(=O)N)[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C13H23N3O2.ClH/c1-6-12(16(3,4)5)15-13(18)10(2)8-7-9-11(14)17;/h7,9,12H,2,6,8H2,1,3-5H3,(H2-,14,15,17,18);1H/b9-7+;