1-[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl]pyridin-1-ium-3-carboxamide Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2/c1-3-5-10(2)15-12(17)9-16-7-4-6-11(8-16)13(14)18/h4,6-8,10H,3,5,9H2,1-2H3,(H2-,14,15,17,18)/p+1/t10-/m0/s1