3-[phenyl-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]amino]propanamide

Systemtic Name: 3-[phenyl-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]amino]propanamide Openeye Name: 3-(N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]anilino)propanamide CAS Name: 3-(N-[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]anilino)propanamide IUPAC Name: 3-(N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]anilino)propanamide Traditional Name: 3-(N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]anilino)propionamide Formula: C20H24N3O2+ MolecularWeight: 338.42346

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)N(CCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)N(CCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2/c21-19(24)11-13-23(18-8-2-1-3-9-18)20(25)15-22-12-10-16-6-4-5-7-17(16)14-22/h1-9H,10-15H2,(H2,21,24)/p+1