2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)benzoic acid chloride

Systemtic Name: 2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)benzoic acid chloride Openeye Name: 2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)benzoic acid chloride CAS Name: 2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)benzoic acid chloride IUPAC Name: 2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)benzoic acid chloride Traditional Name: 2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)benzoic acid chloride Formula: C13H17ClN2O2 MolecularWeight: 268.73928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC[NH+]=C(N1)C2=CC=CC=C2C(=O)O.[Cl-]

Isomeric SMILES

CCC1CC[NH+]=C(N1)C2=CC=CC=C2C(=O)O.[Cl-]

InChI

InChI=1S/C13H16N2O2.ClH/c1-2-9-7-8-14-12(15-9)10-5-3-4-6-11(10)13(16)17;/h3-6,9H,2,7-8H2,1H3,(H,14,15)(H,16,17);1H