[1-(4-iodophenyl)-2-oxidanyl-ethyl]azanium; (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [1-(4-iodophenyl)-2-oxidanyl-ethyl]azanium; (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [2-hydroxy-1-(4-iodophenyl)ethyl]ammonium; (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: [2-hydroxy-1-(4-iodophenyl)ethyl]ammonium; (2S)-2-(6-methoxy-2-naphthalenyl)propanoate IUPAC Name: [2-hydroxy-1-(4-iodophenyl)ethyl]azanium; (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: [2-hydroxy-1-(4-iodophenyl)ethyl]ammonium; (2S)-2-(6-methoxy-2-naphthyl)propionate Formula: C22H24INO4 MolecularWeight: 493.33473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-].C1=CC(=CC=C1C(CO)[NH3+])I

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-].C1=CC(=CC=C1C(CO)[NH3+])I

InChI

InChI=1S/C14H14O3.C8H10INO/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;9-7-3-1-6(2-4-7)8(10)5-11/h3-9H,1-2H3,(H,15,16);1-4,8,11H,5,10H2/t9-;/m0./s1