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

Systemtic Name: (3S)-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-cyclopentyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-[(5-chloro-2-hydroxy-phenyl)methyl]-N-cyclopentyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-[(5-chloro-2-hydroxyphenyl)methyl]-N-cyclopentyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-[(5-chloro-2-hydroxyphenyl)methyl]-N-cyclopentyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-(5-chloro-2-hydroxy-benzyl)-N-cyclopentyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C22H26ClN2O2+ MolecularWeight: 385.90704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2CC3=CC=CC=C3C[NH+]2CC4=C(C=CC(=C4)Cl)O

Isomeric SMILES

C1CCC(C1)NC(=O)[C@@H]2CC3=CC=CC=C3C[NH+]2CC4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C22H25ClN2O2/c23-18-9-10-21(26)17(11-18)14-25-13-16-6-2-1-5-15(16)12-20(25)22(27)24-19-7-3-4-8-19/h1-2,5-6,9-11,19-20,26H,3-4,7-8,12-14H2,(H,24,27)/p+1/t20-/m0/s1