ethyl 2-[[5-aminocarbonyl-6-(butoxycarbonylamino)-1-pentyl-pyridin-1-ium-3-yl]carbonylamino]ethanoate chloride

Systemtic Name: ethyl 2-[[5-aminocarbonyl-6-(butoxycarbonylamino)-1-pentyl-pyridin-1-ium-3-yl]carbonylamino]ethanoate chloride Openeye Name: ethyl 2-[[6-(butoxycarbonylamino)-5-carbamoyl-1-pentyl-pyridin-1-ium-3-carbonyl]amino]acetate chloride CAS Name: 2-[[[6-[[butoxy(oxo)methyl]amino]-5-carbamoyl-1-pentyl-3-pyridin-1-iumyl]-oxomethyl]amino]acetic acid ethyl ester chloride IUPAC Name: ethyl 2-[[6-(butoxycarbonylamino)-5-carbamoyl-1-pentylpyridin-1-ium-3-carbonyl]amino]acetate chloride Traditional Name: 2-[[1-amyl-6-(butoxycarbonylamino)-5-carbamoyl-pyridin-1-ium-3-carbonyl]amino]acetic acid ethyl ester chloride Formula: C21H33ClN4O6 MolecularWeight: 472.96292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=CC(=CC(=C1NC(=O)OCCCC)C(=O)N)C(=O)NCC(=O)OCC.[Cl-]

Isomeric SMILES

CCCCC[N+]1=CC(=CC(=C1NC(=O)OCCCC)C(=O)N)C(=O)NCC(=O)OCC.[Cl-]

InChI

InChI=1S/C21H32N4O6.ClH/c1-4-7-9-10-25-14-15(20(28)23-13-17(26)30-6-3)12-16(18(22)27)19(25)24-21(29)31-11-8-5-2;/h12,14H,4-11,13H2,1-3H3,(H3,22,23,27,28);1H