1-[(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(6-chloro-2-keto-1,3-benzoxazol-3-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C20H21ClN3O3+ MolecularWeight: 386.85204

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C20H20ClN3O3/c21-15-6-7-17-18(12-15)27-20(26)24(17)13-23-10-8-14(9-11-23)19(25)22-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,22,25)/p+1