(1S)-6-ethoxy-1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-6-ethoxy-1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6-ethoxy-1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6-ethoxy-1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6-ethoxy-1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6-ethoxy-1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H21FNO2+ MolecularWeight: 302.363243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC=C(C=C3)F)OC

Isomeric SMILES

CCOC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C18H20FNO2/c1-3-22-17-10-13-8-9-20-18(15(13)11-16(17)21-2)12-4-6-14(19)7-5-12/h4-7,10-11,18,20H,3,8-9H2,1-2H3/p+1/t18-/m0/s1