(3R)-N-[(2S)-2-oxidanyl-2-phenyl-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-[(2S)-2-oxidanyl-2-phenyl-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-[(2S)-2-hydroxy-2-phenylethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-[(2S)-2-hydroxy-2-phenylethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C18H21N2O2+ MolecularWeight: 297.37154

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=CC=CC=C21)C(=O)NCC(C3=CC=CC=C3)O

Isomeric SMILES

C1[C@@H]([NH2+]CC2=CC=CC=C21)C(=O)NC[C@H](C3=CC=CC=C3)O

InChI

InChI=1S/C18H20N2O2/c21-17(13-6-2-1-3-7-13)12-20-18(22)16-10-14-8-4-5-9-15(14)11-19-16/h1-9,16-17,19,21H,10-12H2,(H,20,22)/p+1/t16-,17-/m1/s1