1-[4-ethoxy-3-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]ethanone

Systemtic Name: 1-[4-ethoxy-3-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]ethanone CAS Name: 1-[4-ethoxy-3-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]ethanone Formula: C20H24NO2+ MolecularWeight: 310.41006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)C[N+]2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)C[N+]2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C20H24NO2/c1-3-23-20-9-8-17(15(2)22)12-19(20)14-21-11-10-16-6-4-5-7-18(16)13-21/h8-13H,3-7,14H2,1-2H3/q+1