(3S)-2-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-2-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-[(2-keto-1,3-benzoxazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C18H18N3O3+ MolecularWeight: 324.35382

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)CN3C4=CC=CC=C4OC3=O)C(=O)N

Isomeric SMILES

C1[C@H]([NH+](CC2=CC=CC=C21)CN3C4=CC=CC=C4OC3=O)C(=O)N

InChI

InChI=1S/C18H17N3O3/c19-17(22)15-9-12-5-1-2-6-13(12)10-20(15)11-21-14-7-3-4-8-16(14)24-18(21)23/h1-8,15H,9-11H2,(H2,19,22)/p+1/t15-/m0/s1