3-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]amino]propyl-dimethyl-(phenylmethyl)azanium chloride

Systemtic Name: 3-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]amino]propyl-dimethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-[3-[[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]amino]propyl]-dimethyl-ammonium chloride CAS Name: 3-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]propyl-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[3-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]propyl]-dimethylazanium chloride Traditional Name: benzyl-[3-[[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]amino]propyl]-dimethyl-ammonium chloride Formula: C18H29ClN2O2 MolecularWeight: 340.88806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCOC(=O)/C=C(\C)/NCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C18H28N2O2.ClH/c1-5-22-18(21)14-16(2)19-12-9-13-20(3,4)15-17-10-7-6-8-11-17;/h6-8,10-11,14H,5,9,12-13,15H2,1-4H3;1H