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

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[4-(dimethylamino)-1-pyridin-1-iumyl]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C14H23N4O2+ MolecularWeight: 279.35802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O2/c1-5-11(2)15-14(20)16-13(19)10-18-8-6-12(7-9-18)17(3)4/h6-9,11H,5,10H2,1-4H3,(H-,15,16,19,20)/p+1/t11-/m0/s1