N-(2-methoxy-4-nitro-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C18H20N3O4+ MolecularWeight: 342.3691

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[N+]2=CC3=C(CCCC3)C=C2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[N+]2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C18H19N3O4/c1-25-17-10-15(21(23)24)6-7-16(17)19-18(22)12-20-9-8-13-4-2-3-5-14(13)11-20/h6-11H,2-5,12H2,1H3/p+1