2,6-dimethyl-N-[[2-[(3R)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]pyrimidine-4-carboxamide

Systemtic Name: 2,6-dimethyl-N-[[2-[(3R)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]pyrimidine-4-carboxamide Openeye Name: N-[[2-[(3R)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]-2,6-dimethyl-pyrimidine-4-carboxamide CAS Name: N-[[2-[(3R)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]-2,6-dimethyl-4-pyrimidinecarboxamide IUPAC Name: N-[[2-[(3R)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide Traditional Name: N-[[2-[(3R)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]-2,6-dimethyl-pyrimidine-4-carboxamide Formula: C18H24N5O2+ MolecularWeight: 342.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)NCC2=C([NH+]=CC=C2)N3CCCC(C3)O)C

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)NCC2=C([NH+]=CC=C2)N3CCC[C@H](C3)O)C

InChI

InChI=1S/C18H23N5O2/c1-12-9-16(22-13(2)21-12)18(25)20-10-14-5-3-7-19-17(14)23-8-4-6-15(24)11-23/h3,5,7,9,15,24H,4,6,8,10-11H2,1-2H3,(H,20,25)/p+1/t15-/m1/s1