[(E)-[1-methyl-3-(1-phenylpent-1-yn-3-yloxymethyl)imidazol-2-ylidene]methyl]-oxidanylidene-azanium chloride

Systemtic Name: [(E)-[1-methyl-3-(1-phenylpent-1-yn-3-yloxymethyl)imidazol-2-ylidene]methyl]-oxidanylidene-azanium chloride Openeye Name: [(E)-[1-[(1-ethyl-3-phenyl-prop-2-ynoxy)methyl]-3-methyl-imidazol-2-ylidene]methyl]-oxo-ammonium chloride CAS Name: [(E)-[1-methyl-3-(1-phenylpent-1-yn-3-yloxymethyl)-2-imidazolylidene]methyl]-oxoammonium chloride IUPAC Name: [(E)-[1-methyl-3-(1-phenylpent-1-yn-3-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium chloride Traditional Name: [(E)-[1-[(1-ethyl-3-phenyl-prop-2-ynoxy)methyl]-3-methyl-4-imidazolin-2-ylidene]methyl]-keto-ammonium chloride Formula: C17H20ClN3O2 MolecularWeight: 333.8126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC1=CC=CC=C1)OCN2C=CN(C2=C[NH+]=O)C.[Cl-]

Isomeric SMILES

CCC(C#CC1=CC=CC=C1)OCN\2C=CN(/C2=C\[NH+]=O)C.[Cl-]

InChI

InChI=1S/C17H19N3O2.ClH/c1-3-16(10-9-15-7-5-4-6-8-15)22-14-20-12-11-19(2)17(20)13-18-21;/h4-8,11-13,16H,3,14H2,1-2H3;1H/b17-13+;