2-methyl-N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-5-propyl-pyrazole-3-carboxamide

Systemtic Name: 2-methyl-N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-5-propyl-pyrazole-3-carboxamide Openeye Name: N-[[2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]-2-methyl-5-propyl-pyrazole-3-carboxamide CAS Name: N-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]-2-methyl-5-propyl-3-pyrazolecarboxamide IUPAC Name: N-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-2-methyl-5-propylpyrazole-3-carboxamide Traditional Name: N-[[2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]-2-methyl-5-propyl-pyrazole-3-carboxamide Formula: C19H28N5O2+ MolecularWeight: 358.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C(=O)NCC2=C([NH+]=CC=C2)N3CCCC(C3)O)C

Isomeric SMILES

CCCC1=NN(C(=C1)C(=O)NCC2=C([NH+]=CC=C2)N3CCC[C@@H](C3)O)C

InChI

InChI=1S/C19H27N5O2/c1-3-6-15-11-17(23(2)22-15)19(26)21-12-14-7-4-9-20-18(14)24-10-5-8-16(25)13-24/h4,7,9,11,16,25H,3,5-6,8,10,12-13H2,1-2H3,(H,21,26)/p+1/t16-/m0/s1