(1S)-1-(4-propan-2-ylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol

Systemtic Name: (1S)-1-(4-propan-2-ylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol Openeye Name: (1S)-1-(4-isopropylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol CAS Name: (1S)-1-(4-propan-2-ylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol IUPAC Name: (1S)-1-(4-propan-2-ylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol Traditional Name: (1S)-1-p-cumenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol Formula: C20H26NO+ MolecularWeight: 296.42654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO/c1-15(2)16-7-9-18(10-8-16)20(22)14-21-12-11-17-5-3-4-6-19(17)13-21/h3-10,15,20,22H,11-14H2,1-2H3/p+1/t20-/m1/s1