1-[(5-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]-N-(2-methoxyethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(5-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]-N-(2-methoxyethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(2-methoxyethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(2-methoxyethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(2-methoxyethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(5-chloro-2-keto-1,3-benzoxazol-3-yl)methyl]-N-(2-methoxyethyl)piperidin-1-ium-4-carboxamide Formula: C17H23ClN3O4+ MolecularWeight: 368.83522

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1CC[NH+](CC1)CN2C3=C(C=CC(=C3)Cl)OC2=O

Isomeric SMILES

COCCNC(=O)C1CC[NH+](CC1)CN2C3=C(C=CC(=C3)Cl)OC2=O

InChI

InChI=1S/C17H22ClN3O4/c1-24-9-6-19-16(22)12-4-7-20(8-5-12)11-21-14-10-13(18)2-3-15(14)25-17(21)23/h2-3,10,12H,4-9,11H2,1H3,(H,19,22)/p+1