trimethyl-[(2S)-1-oxidanylidene-3-phenyl-1-[(2S)-2-(tetradecylcarbamoyl)pyrrolidin-1-yl]propan-2-yl]azanium iodide

Systemtic Name: trimethyl-[(2S)-1-oxidanylidene-3-phenyl-1-[(2S)-2-(tetradecylcarbamoyl)pyrrolidin-1-yl]propan-2-yl]azanium iodide Openeye Name: [(1S)-1-benzyl-2-oxo-2-[(2S)-2-(tetradecylcarbamoyl)pyrrolidin-1-yl]ethyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[(2S)-1-oxo-1-[(2S)-2-[oxo-(tetradecylamino)methyl]-1-pyrrolidinyl]-3-phenylpropan-2-yl]ammonium iodide IUPAC Name: trimethyl-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-(tetradecylcarbamoyl)pyrrolidin-1-yl]propan-2-yl]azanium iodide Traditional Name: [(1S)-1-benzyl-2-keto-2-[(2S)-2-(myristylcarbamoyl)pyrrolidino]ethyl]-trimethyl-ammonium iodide Formula: C31H54IN3O2 MolecularWeight: 627.68383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCNC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)[N+](C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)[N+](C)(C)C.[I-]

InChI

InChI=1S/C31H53N3O2.HI/c1-5-6-7-8-9-10-11-12-13-14-15-19-24-32-30(35)28-23-20-25-33(28)31(36)29(34(2,3)4)26-27-21-17-16-18-22-27;/h16-18,21-22,28-29H,5-15,19-20,23-26H2,1-4H3;1H/t28-,29-;/m0./s1