(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl-(1-oxidanylbutan-2-yl)azanium chloride

Systemtic Name: (1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl-(1-oxidanylbutan-2-yl)azanium chloride Openeye Name: (1,3-dimethyl-2-oxo-benzimidazol-5-yl)methyl-[1-(hydroxymethyl)propyl]ammonium chloride CAS Name: (1,3-dimethyl-2-oxo-5-benzimidazolyl)methyl-(1-hydroxybutan-2-yl)ammonium chloride IUPAC Name: (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(1-hydroxybutan-2-yl)azanium chloride Traditional Name: (2-keto-1,3-dimethyl-benzimidazol-5-yl)methyl-(1-methylolpropyl)ammonium chloride Formula: C14H22ClN3O2 MolecularWeight: 299.79638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=CC2=C(C=C1)N(C(=O)N2C)C.[Cl-]

Isomeric SMILES

CCC(CO)[NH2+]CC1=CC2=C(C=C1)N(C(=O)N2C)C.[Cl-]

InChI

InChI=1S/C14H21N3O2.ClH/c1-4-11(9-18)15-8-10-5-6-12-13(7-10)17(3)14(19)16(12)2;/h5-7,11,15,18H,4,8-9H2,1-3H3;1H