(2S)-1,1-dimethyl-N-[(2S)-1-oxidanylidene-3-phenyl-1-(tetradecylamino)propan-2-yl]pyrrolidin-1-ium-2-carboxamide iodide

Systemtic Name: (2S)-1,1-dimethyl-N-[(2S)-1-oxidanylidene-3-phenyl-1-(tetradecylamino)propan-2-yl]pyrrolidin-1-ium-2-carboxamide iodide Openeye Name: (2S)-N-[(1S)-1-benzyl-2-oxo-2-(tetradecylamino)ethyl]-1,1-dimethyl-pyrrolidin-1-ium-2-carboxamide iodide CAS Name: (2S)-1,1-dimethyl-N-[(2S)-1-oxo-3-phenyl-1-(tetradecylamino)propan-2-yl]-2-pyrrolidin-1-iumcarboxamide iodide IUPAC Name: (2S)-1,1-dimethyl-N-[(2S)-1-oxo-3-phenyl-1-(tetradecylamino)propan-2-yl]pyrrolidin-1-ium-2-carboxamide iodide Traditional Name: (2S)-N-[(1S)-1-benzyl-2-keto-2-(myristylamino)ethyl]-1,1-dimethyl-pyrrolidin-1-ium-2-carboxamide iodide Formula: C30H52IN3O2 MolecularWeight: 613.65725

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCC[N+]2(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCC[N+]2(C)C.[I-]

InChI

InChI=1S/C30H51N3O2.HI/c1-4-5-6-7-8-9-10-11-12-13-14-18-23-31-29(34)27(25-26-20-16-15-17-21-26)32-30(35)28-22-19-24-33(28,2)3;/h15-17,20-21,27-28H,4-14,18-19,22-25H2,1-3H3,(H-,31,32,34,35);1H/t27-,28-;/m0./s1