1-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]pyridin-1-ium-3-carboxamide Formula: C18H22N3O2+ MolecularWeight: 312.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C18H21N3O2/c1-14(9-10-15-6-3-2-4-7-15)20-17(22)13-21-11-5-8-16(12-21)18(19)23/h2-8,11-12,14H,9-10,13H2,1H3,(H2-,19,20,22,23)/p+1/t14-/m1/s1