(3R)-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-phenethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-phenethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-[(5-chloro-2-hydroxy-phenyl)methyl]-N-phenethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-(5-chloro-2-hydroxy-benzyl)-N-phenethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C25H26ClN2O2+ MolecularWeight: 421.93914

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)CC3=C(C=CC(=C3)Cl)O)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1[C@@H]([NH+](CC2=CC=CC=C21)CC3=C(C=CC(=C3)Cl)O)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H25ClN2O2/c26-22-10-11-24(29)21(14-22)17-28-16-20-9-5-4-8-19(20)15-23(28)25(30)27-13-12-18-6-2-1-3-7-18/h1-11,14,23,29H,12-13,15-17H2,(H,27,30)/p+1/t23-/m1/s1