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

Systemtic Name: 1-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(isopentylcarbamoylamino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(isoamylcarbamoylamino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C14H21N4O3+ MolecularWeight: 293.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O3/c1-10(2)5-6-16-14(21)17-12(19)9-18-7-3-4-11(8-18)13(15)20/h3-4,7-8,10H,5-6,9H2,1-2H3,(H3-,15,16,17,19,20,21)/p+1