methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(3-oxidanylpyridin-1-ium-1-yl)hexanoate iodide

Systemtic Name: methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(3-oxidanylpyridin-1-ium-1-yl)hexanoate iodide Openeye Name: methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(3-hydroxypyridin-1-ium-1-yl)hexanoate iodide CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-6-(3-hydroxy-1-pyridin-1-iumyl)hexanoic acid methyl ester iodide IUPAC Name: methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(3-hydroxypyridin-1-ium-1-yl)hexanoate iodide Traditional Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(3-hydroxypyridin-1-ium-1-yl)hexanoic acid methyl ester iodide Formula: C27H29IN2O5 MolecularWeight: 588.43403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCC[N+]1=CC=CC(=C1)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.[I-]

Isomeric SMILES

COC(=O)[C@H](CCCC[N+]1=CC=CC(=C1)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.[I-]

InChI

InChI=1S/C27H28N2O5.HI/c1-33-26(31)25(14-6-7-15-29-16-8-9-19(30)17-29)28-27(32)34-18-24-22-12-4-2-10-20(22)21-11-3-5-13-23(21)24;/h2-5,8-13,16-17,24-25H,6-7,14-15,18H2,1H3,(H-,28,30,32);1H/t25-;/m0./s1