N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide

Systemtic Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide Openeye Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide CAS Name: N-[[2-(1-azocanyl)-3-pyridin-1-iumyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide IUPAC Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide Traditional Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide Formula: C18H26N5O+ MolecularWeight: 328.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NCC2=C([NH+]=CC=C2)N3CCCCCCC3

Isomeric SMILES

CC1=CC(=NN1)C(=O)NCC2=C([NH+]=CC=C2)N3CCCCCCC3

InChI

InChI=1S/C18H25N5O/c1-14-12-16(22-21-14)18(24)20-13-15-8-7-9-19-17(15)23-10-5-3-2-4-6-11-23/h7-9,12H,2-6,10-11,13H2,1H3,(H,20,24)(H,21,22)/p+1