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

Systemtic Name: N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-3-pyridin-3-yl-propanamide Openeye Name: N-[[2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]-3-(3-pyridyl)propanamide CAS Name: N-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]-3-(3-pyridinyl)propanamide IUPAC Name: N-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-3-pyridin-3-ylpropanamide Traditional Name: N-[[2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]-3-(3-pyridyl)propionamide Formula: C19H25N4O2+ MolecularWeight: 341.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=[NH+]2)CNC(=O)CCC3=CN=CC=C3)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=CC=[NH+]2)CNC(=O)CCC3=CN=CC=C3)O

InChI

InChI=1S/C19H24N4O2/c24-17-6-3-11-23(14-17)19-16(5-2-10-21-19)13-22-18(25)8-7-15-4-1-9-20-12-15/h1-2,4-5,9-10,12,17,24H,3,6-8,11,13-14H2,(H,22,25)/p+1/t17-/m0/s1