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

Systemtic Name: 1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[[(1S)-2-methoxy-1-methyl-ethyl]amino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-keto-2-[[(1S)-2-methoxy-1-methyl-ethyl]amino]ethyl]pyridin-1-ium-3-carboxamide Formula: C12H18N3O3+ MolecularWeight: 252.28962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3/c1-9(8-18-2)14-11(16)7-15-5-3-4-10(6-15)12(13)17/h3-6,9H,7-8H2,1-2H3,(H2-,13,14,16,17)/p+1/t9-/m0/s1