(3R)-N-(4-iodophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-(4-iodophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(4-iodophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(4-iodophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(4-iodophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(4-iodophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C16H16IN2O+ MolecularWeight: 379.21551

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

C1[C@@H]([NH2+]CC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C16H15IN2O/c17-13-5-7-14(8-6-13)19-16(20)15-9-11-3-1-2-4-12(11)10-18-15/h1-8,15,18H,9-10H2,(H,19,20)/p+1/t15-/m1/s1