(1S)-6,7-diethoxy-1-(9H-fluoren-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-6,7-diethoxy-1-(9H-fluoren-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-diethoxy-1-(9H-fluoren-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-diethoxy-1-(9H-fluoren-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-diethoxy-1-(9H-fluoren-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-diethoxy-1-(9H-fluoren-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C26H28NO2+ MolecularWeight: 386.50602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC4=C(C=C3)C5=CC=CC=C5C4)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=CC4=C(C=C3)C5=CC=CC=C5C4)OCC

InChI

InChI=1S/C26H27NO2/c1-3-28-24-15-18-11-12-27-26(23(18)16-25(24)29-4-2)19-9-10-22-20(14-19)13-17-7-5-6-8-21(17)22/h5-10,14-16,26-27H,3-4,11-13H2,1-2H3/p+1/t26-/m0/s1