2-[2-[2-(5-methyl-2-nitro-phenoxy)ethoxy]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[2-[2-(5-methyl-2-nitro-phenoxy)ethoxy]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[2-[2-(5-methyl-2-nitro-phenoxy)ethoxy]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[2-[2-(5-methyl-2-nitrophenoxy)ethoxy]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[2-[2-(5-methyl-2-nitrophenoxy)ethoxy]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[2-[2-(5-methyl-2-nitro-phenoxy)ethoxy]ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H25N2O4+ MolecularWeight: 357.4235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCOCC[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCOCC[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H24N2O4/c1-16-6-7-19(22(23)24)20(14-16)26-13-12-25-11-10-21-9-8-17-4-2-3-5-18(17)15-21/h2-7,14H,8-13,15H2,1H3/p+1