3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-nitro-1,3-benzoxazol-2-one CAS Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-nitro-1,3-benzoxazol-2-one Formula: C21H24N3O6+ MolecularWeight: 414.43176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=O)OCC

Isomeric SMILES

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=O)OCC

InChI

InChI=1S/C21H23N3O6/c1-3-28-19-9-14-7-8-22(12-15(14)10-20(19)29-4-2)13-23-17-11-16(24(26)27)5-6-18(17)30-21(23)25/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3/p+1