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

Systemtic Name: (3S)-1-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(2-keto-1,3-benzoxazol-3-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C3=CC=CC=C3OC2=O)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CN2C3=CC=CC=C3OC2=O)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3/c24-19(21-16-8-2-1-3-9-16)15-7-6-12-22(13-15)14-23-17-10-4-5-11-18(17)26-20(23)25/h1-5,8-11,15H,6-7,12-14H2,(H,21,24)/p+1/t15-/m0/s1