2-ethanoyl-N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]benzamide

Systemtic Name: 2-ethanoyl-N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]benzamide Openeye Name: 2-acetyl-N-[[2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]benzamide CAS Name: 2-acetyl-N-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 2-acetyl-N-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]benzamide Traditional Name: 2-acetyl-N-[[2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]benzamide Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C(=O)NCC2=C([NH+]=CC=C2)N3CCCC(C3)O

Isomeric SMILES

CC(=O)C1=CC=CC=C1C(=O)NCC2=C([NH+]=CC=C2)N3CCC[C@@H](C3)O

InChI

InChI=1S/C20H23N3O3/c1-14(24)17-8-2-3-9-18(17)20(26)22-12-15-6-4-10-21-19(15)23-11-5-7-16(25)13-23/h2-4,6,8-10,16,25H,5,7,11-13H2,1H3,(H,22,26)/p+1/t16-/m0/s1