ethyl 2-[[3-aminocarbonyl-4-(butoxycarbonylamino)-1-ethyl-pyridin-1-ium-2-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[3-aminocarbonyl-4-(butoxycarbonylamino)-1-ethyl-pyridin-1-ium-2-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[4-(butoxycarbonylamino)-3-carbamoyl-1-ethyl-pyridin-1-ium-2-carbonyl]amino]acetate CAS Name: 2-[[[4-[[butoxy(oxo)methyl]amino]-3-carbamoyl-1-ethyl-2-pyridin-1-iumyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(butoxycarbonylamino)-3-carbamoyl-1-ethylpyridin-1-ium-2-carbonyl]amino]acetate Traditional Name: 2-[[4-(butoxycarbonylamino)-3-carbamoyl-1-ethyl-pyridin-1-ium-2-carbonyl]amino]acetic acid ethyl ester Formula: C18H27N4O6+ MolecularWeight: 395.43018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=C(C(=[N+](C=C1)CC)C(=O)NCC(=O)OCC)C(=O)N

Isomeric SMILES

CCCCOC(=O)NC1=C(C(=[N+](C=C1)CC)C(=O)NCC(=O)OCC)C(=O)N

InChI

InChI=1S/C18H26N4O6/c1-4-7-10-28-18(26)21-12-8-9-22(5-2)15(14(12)16(19)24)17(25)20-11-13(23)27-6-3/h8-9H,4-7,10-11H2,1-3H3,(H3,19,20,24,25)/p+1