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

Systemtic Name: 1-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]pyridin-1-ium-3-carboxamide Formula: C12H18N3O2+ MolecularWeight: 236.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2/c1-3-9(2)14-11(16)8-15-6-4-5-10(7-15)12(13)17/h4-7,9H,3,8H2,1-2H3,(H2-,13,14,16,17)/p+1/t9-/m0/s1