(3R)-N-methyl-2-[(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-methyl-2-[(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-methyl-2-[(5-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-methyl-2-[(5-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-methyl-2-[(5-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-[(2-keto-5-nitro-1,3-benzoxazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C19H19N4O5+ MolecularWeight: 383.37796

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2C[NH+]1CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CNC(=O)[C@H]1CC2=CC=CC=C2C[NH+]1CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C19H18N4O5/c1-20-18(24)16-8-12-4-2-3-5-13(12)10-21(16)11-22-15-9-14(23(26)27)6-7-17(15)28-19(22)25/h2-7,9,16H,8,10-11H2,1H3,(H,20,24)/p+1/t16-/m1/s1