(2S)-1-oxidanidyl-1-[3-[(2S)-1-oxidanidyl-2-(phenethylcarbamoyl)piperidin-1-ium-1-yl]propyl]-N-phenethyl-piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-oxidanidyl-1-[3-[(2S)-1-oxidanidyl-2-(phenethylcarbamoyl)piperidin-1-ium-1-yl]propyl]-N-phenethyl-piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-oxido-1-[3-[(2S)-1-oxido-2-(phenethylcarbamoyl)piperidin-1-ium-1-yl]propyl]-N-phenethyl-piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-oxido-1-[3-[(2S)-1-oxido-2-[oxo-(phenethylamino)methyl]-1-piperidin-1-iumyl]propyl]-N-phenethyl-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-oxido-1-[3-[(2S)-1-oxido-2-(phenethylcarbamoyl)piperidin-1-ium-1-yl]propyl]-N-phenethylpiperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-oxido-1-[3-[(2S)-1-oxido-2-(phenethylcarbamoyl)piperidin-1-ium-1-yl]propyl]-N-phenethyl-piperidin-1-ium-2-carboxamide Formula: C31H44N4O4 MolecularWeight: 536.70546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)C(=O)NCCC2=CC=CC=C2)(CCC[N+]3(CCCCC3C(=O)NCCC4=CC=CC=C4)[O-])[O-]

Isomeric SMILES

C1CC[N+]([C@@H](C1)C(=O)NCCC2=CC=CC=C2)(CCC[N+]3(CCCC[C@H]3C(=O)NCCC4=CC=CC=C4)[O-])[O-]

InChI

InChI=1S/C31H44N4O4/c36-30(32-20-18-26-12-3-1-4-13-26)28-16-7-9-22-34(28,38)24-11-25-35(39)23-10-8-17-29(35)31(37)33-21-19-27-14-5-2-6-15-27/h1-6,12-15,28-29H,7-11,16-25H2,(H,32,36)(H,33,37)/t28-,29-,34?,35?/m0/s1