(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methyl-phenethyl-(phenylmethyl)azanium

Systemtic Name: (3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methyl-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methyl]-phenethyl-ammonium CAS Name: (4-hydroxy-3-iodo-5-methoxyphenyl)methyl-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]-phenethylazanium Traditional Name: benzyl-(4-hydroxy-3-iodo-5-methoxy-benzyl)-phenethyl-ammonium Formula: C23H25INO2+ MolecularWeight: 474.35457

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)I)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)I)O

InChI

InChI=1S/C23H24INO2/c1-27-22-15-20(14-21(24)23(22)26)17-25(16-19-10-6-3-7-11-19)13-12-18-8-4-2-5-9-18/h2-11,14-15,26H,12-13,16-17H2,1H3/p+1