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

Systemtic Name: 2-[2-(5-methyl-2-nitro-phenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[2-(5-methyl-2-nitro-phenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[2-(5-methyl-2-nitrophenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[2-(5-methyl-2-nitrophenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[2-(5-methyl-2-nitro-phenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3/c1-14-6-7-17(20(21)22)18(12-14)23-11-10-19-9-8-15-4-2-3-5-16(15)13-19/h2-7,12H,8-11,13H2,1H3/p+1