(2S)-1-(3-methyl-5-propan-2-yl-phenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol

Systemtic Name: (2S)-1-(3-methyl-5-propan-2-yl-phenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Openeye Name: (2S)-1-(3-isopropyl-5-methyl-phenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol CAS Name: (2S)-1-(3-methyl-5-propan-2-ylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-propanol IUPAC Name: (2S)-1-(3-methyl-5-propan-2-ylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Traditional Name: (2S)-1-(3-isopropyl-5-methyl-phenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Formula: C22H30NO2+ MolecularWeight: 340.4791

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(C[NH+]2CCC3=CC=CC=C3C2)O)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC[C@H](C[NH+]2CCC3=CC=CC=C3C2)O)C(C)C

InChI

InChI=1S/C22H29NO2/c1-16(2)20-10-17(3)11-22(12-20)25-15-21(24)14-23-9-8-18-6-4-5-7-19(18)13-23/h4-7,10-12,16,21,24H,8-9,13-15H2,1-3H3/p+1/t21-/m0/s1