[(E)-[1-methyl-3-(1-phenylbutoxymethyl)imidazol-2-ylidene]methyl]-oxidanylidene-azanium chloride

Systemtic Name: [(E)-[1-methyl-3-(1-phenylbutoxymethyl)imidazol-2-ylidene]methyl]-oxidanylidene-azanium chloride Openeye Name: [(E)-[1-methyl-3-(1-phenylbutoxymethyl)imidazol-2-ylidene]methyl]-oxo-ammonium chloride CAS Name: [(E)-[1-methyl-3-(1-phenylbutoxymethyl)-2-imidazolylidene]methyl]-oxoammonium chloride IUPAC Name: [(E)-[1-methyl-3-(1-phenylbutoxymethyl)imidazol-2-ylidene]methyl]-oxoazanium chloride Traditional Name: keto-[(E)-[1-methyl-3-(1-phenylbutoxymethyl)-4-imidazolin-2-ylidene]methyl]ammonium chloride Formula: C16H22ClN3O2 MolecularWeight: 323.81778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)OCN2C=CN(C2=C[NH+]=O)C.[Cl-]

Isomeric SMILES

CCCC(C1=CC=CC=C1)OCN\2C=CN(/C2=C\[NH+]=O)C.[Cl-]

InChI

InChI=1S/C16H21N3O2.ClH/c1-3-7-15(14-8-5-4-6-9-14)21-13-19-11-10-18(2)16(19)12-17-20;/h4-6,8-12,15H,3,7,13H2,1-2H3;1H/b16-12+;