2-[(5-chloranyl-2-nitro-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(5-chloranyl-2-nitro-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(5-chloro-2-nitro-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(5-chloro-2-nitrophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(5-chloro-2-nitrophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(5-chloro-2-nitro-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H20ClN2O4+ MolecularWeight: 363.8154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=C(C=CC(=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=C(C=CC(=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C18H19ClN2O4/c1-24-17-8-12-5-6-20(10-13(12)9-18(17)25-2)11-14-7-15(19)3-4-16(14)21(22)23/h3-4,7-9H,5-6,10-11H2,1-2H3/p+1