N-[(2S)-butan-2-yl]-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(dimethylamino)-1-pyridin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C13H22N3O+ MolecularWeight: 236.33328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O/c1-5-11(2)14-13(17)10-16-8-6-12(7-9-16)15(3)4/h6-9,11H,5,10H2,1-4H3/p+1/t11-/m0/s1