1-(5-chloranyl-2-nitro-phenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium

Systemtic Name: 1-(5-chloranyl-2-nitro-phenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium Openeye Name: 1-(5-chloro-2-nitro-phenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium CAS Name: 1-(5-chloro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium IUPAC Name: 1-(5-chloro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium Traditional Name: 1-(5-chloro-2-nitro-phenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium Formula: C17H16ClN2O4+ MolecularWeight: 347.77294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[NH+]=C2C3=C(C=CC(=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[NH+]=C2C3=C(C=CC(=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C17H15ClN2O4/c1-23-15-7-10-5-6-19-17(12(10)9-16(15)24-2)13-8-11(18)3-4-14(13)20(21)22/h3-4,7-9H,5-6H2,1-2H3/p+1