4-[[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]benzamide

Systemtic Name: 4-[[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]benzamide CAS Name: 4-[[(2R)-1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]benzamide Formula: C19H22N3O2+ MolecularWeight: 324.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H21N3O2/c1-13(22-11-10-14-4-2-3-5-16(14)12-22)19(24)21-17-8-6-15(7-9-17)18(20)23/h2-9,13H,10-12H2,1H3,(H2,20,23)(H,21,24)/p+1/t13-/m1/s1