N-[2-[(2-methyl-3-oxidanyl-1-phenethyl-pyridin-1-ium-4-yl)amino]ethyl]ethanamide

Systemtic Name: N-[2-[(2-methyl-3-oxidanyl-1-phenethyl-pyridin-1-ium-4-yl)amino]ethyl]ethanamide Openeye Name: N-[2-[(3-hydroxy-2-methyl-1-phenethyl-pyridin-1-ium-4-yl)amino]ethyl]acetamide CAS Name: N-[2-[(3-hydroxy-2-methyl-1-phenethyl-4-pyridin-1-iumyl)amino]ethyl]acetamide IUPAC Name: N-[2-[(3-hydroxy-2-methyl-1-phenethylpyridin-1-ium-4-yl)amino]ethyl]acetamide Traditional Name: N-[2-[(3-hydroxy-2-methyl-1-phenethyl-pyridin-1-ium-4-yl)amino]ethyl]acetamide Formula: C18H24N3O2+ MolecularWeight: 314.40206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC(=C1O)NCCNC(=O)C)CCC2=CC=CC=C2

Isomeric SMILES

CC1=[N+](C=CC(=C1O)NCCNC(=O)C)CCC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O2/c1-14-18(23)17(20-11-10-19-15(2)22)9-13-21(14)12-8-16-6-4-3-5-7-16/h3-7,9,13H,8,10-12H2,1-2H3,(H2,19,22,23)/p+1