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

Systemtic Name: 6,7-dimethoxy-2-[(3S)-3-phenylbutyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[(3S)-3-phenylbutyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[(3S)-3-phenylbutyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(3S)-3-phenylbutyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-[(3S)-3-phenylbutyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCC2=CC(=C(C=C2C1)OC)OC)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CC[NH+]1CCC2=CC(=C(C=C2C1)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H27NO2/c1-16(17-7-5-4-6-8-17)9-11-22-12-10-18-13-20(23-2)21(24-3)14-19(18)15-22/h4-8,13-14,16H,9-12,15H2,1-3H3/p+1/t16-/m0/s1