3-chloranyl-4-oxidanyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide

Systemtic Name: 3-chloranyl-4-oxidanyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Openeye Name: 3-chloro-4-hydroxy-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide CAS Name: 3-chloro-4-hydroxy-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide IUPAC Name: 3-chloro-4-hydroxy-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Traditional Name: 3-chloro-4-hydroxy-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Formula: C19H22ClN2O2+ MolecularWeight: 345.84318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O2/c1-13(22-9-8-14-4-2-3-5-16(14)12-22)11-21-19(24)15-6-7-18(23)17(20)10-15/h2-7,10,13,23H,8-9,11-12H2,1H3,(H,21,24)/p+1/t13-/m1/s1