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

Systemtic Name: [(E)-[1-methyl-3-(2-prop-2-ynoxyethyl)imidazol-2-ylidene]methyl]-oxidanylidene-azanium chloride Openeye Name: [(E)-[1-methyl-3-(2-prop-2-ynoxyethyl)imidazol-2-ylidene]methyl]-oxo-ammonium chloride CAS Name: [(E)-[1-methyl-3-(2-prop-2-ynoxyethyl)-2-imidazolylidene]methyl]-oxoammonium chloride IUPAC Name: [(E)-[1-methyl-3-(2-prop-2-ynoxyethyl)imidazol-2-ylidene]methyl]-oxoazanium chloride Traditional Name: keto-[(E)-[1-methyl-3-(2-propargyloxyethyl)-4-imidazolin-2-ylidene]methyl]ammonium chloride Formula: C10H14ClN3O2 MolecularWeight: 243.69006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=C[NH+]=O)CCOCC#C.[Cl-]

Isomeric SMILES

CN\1C=CN(/C1=C/[NH+]=O)CCOCC#C.[Cl-]

InChI

InChI=1S/C10H13N3O2.ClH/c1-3-7-15-8-6-13-5-4-12(2)10(13)9-11-14;/h1,4-5,9H,6-8H2,2H3;1H/b10-9+;