3-[[5-[[(2S)-2-ethylhexanoyl]amino]-2-pyrrolidin-1-yl-phenyl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-[[(2S)-2-ethylhexanoyl]amino]-2-pyrrolidin-1-yl-phenyl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[5-[[(2S)-2-ethylhexanoyl]amino]-2-pyrrolidin-1-yl-benzoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[5-[[(2S)-2-ethyl-1-oxohexyl]amino]-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[5-[[(2S)-2-ethylhexanoyl]amino]-2-pyrrolidin-1-ylbenzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[5-[[(2S)-2-ethylhexanoyl]amino]-2-pyrrolidino-benzoyl]amino]propyl-dimethyl-ammonium Formula: C24H41N4O2+ MolecularWeight: 417.60794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCCC[NH+](C)C

Isomeric SMILES

CCCC[C@H](CC)C(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCCC[NH+](C)C

InChI

InChI=1S/C24H40N4O2/c1-5-7-11-19(6-2)23(29)26-20-12-13-22(28-16-8-9-17-28)21(18-20)24(30)25-14-10-15-27(3)4/h12-13,18-19H,5-11,14-17H2,1-4H3,(H,25,30)(H,26,29)/p+1/t19-/m0/s1