1-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl]pyridin-1-ium-3-carboxamide Formula: C13H19N4O3+ MolecularWeight: 279.31496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3/c1-3-9(2)15-13(20)16-11(18)8-17-6-4-5-10(7-17)12(14)19/h4-7,9H,3,8H2,1-2H3,(H3-,14,15,16,18,19,20)/p+1/t9-/m0/s1