(1S)-6-methoxy-2-methyl-1-(2-methylpropyl)-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-6-methoxy-2-methyl-1-(2-methylpropyl)-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-7-benzyloxy-1-isobutyl-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6-methoxy-2-methyl-1-(2-methylpropyl)-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6-methoxy-2-methyl-1-(2-methylpropyl)-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-7-benzoxy-1-isobutyl-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C22H30NO2+ MolecularWeight: 340.4791

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C2=CC(=C(C=C2CC[NH+]1C)OC)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@H]1C2=CC(=C(C=C2CC[NH+]1C)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C22H29NO2/c1-16(2)12-20-19-14-22(25-15-17-8-6-5-7-9-17)21(24-4)13-18(19)10-11-23(20)3/h5-9,13-14,16,20H,10-12,15H2,1-4H3/p+1/t20-/m0/s1