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

Systemtic Name: (2S)-1-(2-tert-butyl-4-methyl-phenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Openeye Name: (2S)-1-(2-tert-butyl-4-methyl-phenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol CAS Name: (2S)-1-(2-tert-butyl-4-methylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-propanol IUPAC Name: (2S)-1-(2-tert-butyl-4-methylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Traditional Name: (2S)-1-(2-tert-butyl-4-methyl-phenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Formula: C23H32NO2+ MolecularWeight: 354.50568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO2/c1-17-9-10-22(21(13-17)23(2,3)4)26-16-20(25)15-24-12-11-18-7-5-6-8-19(18)14-24/h5-10,13,20,25H,11-12,14-16H2,1-4H3/p+1/t20-/m0/s1