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1-[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

1-[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name:1-[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide
Openeye Name:1-[2-(isobutylcarbamoylamino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide
CAS Name:1-[2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide
IUPAC Name:1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyridin-1-ium-3-carboxamide
Traditional Name:1-[2-(isobutylcarbamoylamino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide
Formula: C13H19N4O3+
MolecularWeight: 279.31496
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)C[N+]1=CC=CC(=C1)C(=O)N


Isomeric SMILES

CC(C)CNC(=O)NC(=O)C[N+]1=CC=CC(=C1)C(=O)N


InChI

InChI=1S/C13H18N4O3/c1-9(2)6-15-13(20)16-11(18)8-17-5-3-4-10(7-17)12(14)19/h3-5,7,9H,6,8H2,1-2H3,(H3-,14,15,16,18,19,20)/p+1


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