N-(4-chloranyl-2-nitro-phenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(4-chloro-2-nitro-phenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(4-chloro-2-nitrophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(4-chloro-2-nitro-phenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C19H21ClN3O5+ MolecularWeight: 406.84014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C19H20ClN3O5/c1-27-17-7-12-5-6-22(10-13(12)8-18(17)28-2)11-19(24)21-15-4-3-14(20)9-16(15)23(25)26/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,21,24)/p+1