4-iodanyl-2-oxidanidyl-3-(phenylmethyl)isoquinolin-2-ium

Systemtic Name: 4-iodanyl-2-oxidanidyl-3-(phenylmethyl)isoquinolin-2-ium Openeye Name: 3-benzyl-4-iodo-2-oxido-isoquinolin-2-ium CAS Name: 4-iodo-2-oxido-3-(phenylmethyl)isoquinolin-2-ium IUPAC Name: 3-benzyl-4-iodo-2-oxidoisoquinolin-2-ium Traditional Name: 3-benzyl-4-iodo-2-oxido-isoquinolin-2-ium Formula: C16H12INO MolecularWeight: 361.17705

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3C=[N+]2[O-])I

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3C=[N+]2[O-])I

InChI

InChI=1S/C16H12INO/c17-16-14-9-5-4-8-13(14)11-18(19)15(16)10-12-6-2-1-3-7-12/h1-9,11H,10H2