[(2R)-2-(5-chloranyl-2-oxidanyl-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(5-chloranyl-2-oxidanyl-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]azanium Openeye Name: [(2R)-2-(5-chloro-2-hydroxy-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ammonium CAS Name: [(2R)-2-(5-chloro-2-hydroxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ammonium IUPAC Name: [(2R)-2-(5-chloro-2-hydroxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]azanium Traditional Name: [(2R)-2-(5-chloro-2-hydroxy-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ammonium Formula: C17H20ClN2O+ MolecularWeight: 303.8065

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(C[NH3+])C3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)[C@@H](C[NH3+])C3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C17H19ClN2O/c18-14-5-6-17(21)15(9-14)16(10-19)20-8-7-12-3-1-2-4-13(12)11-20/h1-6,9,16,21H,7-8,10-11,19H2/p+1/t16-/m0/s1