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

Systemtic Name: (2S)-1-(3-methyl-4-propan-2-yl-phenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Openeye Name: (2S)-1-(4-isopropyl-3-methyl-phenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol CAS Name: (2S)-1-(3-methyl-4-propan-2-ylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-propanol IUPAC Name: (2S)-1-(3-methyl-4-propan-2-ylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Traditional Name: (2S)-1-(4-isopropyl-3-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=C(C=CC(=C1)OCC(C[NH+]2CCC3=CC=CC=C3C2)O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO2/c1-16(2)22-9-8-21(12-17(22)3)25-15-20(24)14-23-11-10-18-6-4-5-7-19(18)13-23/h4-9,12,16,20,24H,10-11,13-15H2,1-3H3/p+1/t20-/m0/s1