N-[2-(4-propan-2-ylphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[2-(4-propan-2-ylphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[2-(4-isopropylphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[2-(4-propan-2-ylphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[2-(4-propan-2-ylphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(2-p-cumenylethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O/c1-17(2)19-9-7-18(8-10-19)11-13-23-22(25)16-24-14-12-20-5-3-4-6-21(20)15-24/h3-10,17H,11-16H2,1-2H3,(H,23,25)/p+1