6,7-diethoxy-2-ethyl-1-phenyl-3,4-dihydroisoquinolin-2-ium hydroxide

Systemtic Name: 6,7-diethoxy-2-ethyl-1-phenyl-3,4-dihydroisoquinolin-2-ium hydroxide Openeye Name: 6,7-diethoxy-2-ethyl-1-phenyl-3,4-dihydroisoquinolin-2-ium hydroxide CAS Name: 6,7-diethoxy-2-ethyl-1-phenyl-3,4-dihydroisoquinolin-2-ium hydroxide IUPAC Name: 6,7-diethoxy-2-ethyl-1-phenyl-3,4-dihydroisoquinolin-2-ium hydroxide Traditional Name: 6,7-diethoxy-2-ethyl-1-phenyl-3,4-dihydroisoquinolin-2-ium hydroxide Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C2=CC(=C(C=C2CC1)OCC)OCC)C3=CC=CC=C3.[OH-]

Isomeric SMILES

CC[N+]1=C(C2=CC(=C(C=C2CC1)OCC)OCC)C3=CC=CC=C3.[OH-]

InChI

InChI=1S/C21H26NO2.H2O/c1-4-22-13-12-17-14-19(23-5-2)20(24-6-3)15-18(17)21(22)16-10-8-7-9-11-16;/h7-11,14-15H,4-6,12-13H2,1-3H3;1H2/q+1;/p-1