(1S)-2-[(1S)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-phenyl-ethanol

Systemtic Name: (1S)-2-[(1S)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-phenyl-ethanol Openeye Name: (1S)-2-[(1S)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-phenyl-ethanol CAS Name: (1S)-2-[(1S)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-phenylethanol IUPAC Name: (1S)-2-[(1S)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-phenylethanol Traditional Name: (1S)-2-[(1S)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-phenyl-ethanol Formula: C25H28NO3+ MolecularWeight: 390.49472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC(C3=CC=CC=C3)O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2[C@@H]([NH+](CCC2=C1)C[C@H](C3=CC=CC=C3)O)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H27NO3/c1-28-23-15-20-13-14-26(17-22(27)18-9-5-3-6-10-18)25(19-11-7-4-8-12-19)21(20)16-24(23)29-2/h3-12,15-16,22,25,27H,13-14,17H2,1-2H3/p+1/t22-,25+/m1/s1