3-methyl-6-(3-piperidin-1-ium-1-ylpropanoyl)-1,3-benzoxazol-2-one chloride

Systemtic Name: 3-methyl-6-(3-piperidin-1-ium-1-ylpropanoyl)-1,3-benzoxazol-2-one chloride Openeye Name: 3-methyl-6-(3-piperidin-1-ium-1-ylpropanoyl)-1,3-benzoxazol-2-one chloride CAS Name: 3-methyl-6-[1-oxo-3-(1-piperidin-1-iumyl)propyl]-1,3-benzoxazol-2-one chloride IUPAC Name: 3-methyl-6-(3-piperidin-1-ium-1-ylpropanoyl)-1,3-benzoxazol-2-one chloride Traditional Name: 3-methyl-6-(3-piperidin-1-ium-1-ylpropanoyl)-1,3-benzoxazol-2-one chloride Formula: C16H21ClN2O3 MolecularWeight: 324.80254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)CC[NH+]3CCCCC3)OC1=O.[Cl-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)CC[NH+]3CCCCC3)OC1=O.[Cl-]

InChI

InChI=1S/C16H20N2O3.ClH/c1-17-13-6-5-12(11-15(13)21-16(17)20)14(19)7-10-18-8-3-2-4-9-18;/h5-6,11H,2-4,7-10H2,1H3;1H