2-methyl-N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]furan-3-carboxamide

Systemtic Name: 2-methyl-N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]furan-3-carboxamide Openeye Name: N-[[2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]-2-methyl-furan-3-carboxamide CAS Name: N-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]-2-methyl-3-furancarboxamide IUPAC Name: N-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-2-methylfuran-3-carboxamide Traditional Name: N-[[2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]-2-methyl-3-furamide Formula: C17H22N3O3+ MolecularWeight: 316.37488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)NCC2=C([NH+]=CC=C2)N3CCCC(C3)O

Isomeric SMILES

CC1=C(C=CO1)C(=O)NCC2=C([NH+]=CC=C2)N3CCC[C@@H](C3)O

InChI

InChI=1S/C17H21N3O3/c1-12-15(6-9-23-12)17(22)19-10-13-4-2-7-18-16(13)20-8-3-5-14(21)11-20/h2,4,6-7,9,14,21H,3,5,8,10-11H2,1H3,(H,19,22)/p+1/t14-/m0/s1