3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide

Systemtic Name: 3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Openeye Name: 3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide CAS Name: 3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]butanamide IUPAC Name: 3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Traditional Name: 3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butyramide Formula: C17H27N6O+ MolecularWeight: 331.43588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=NN3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=NN3

InChI

InChI=1S/C17H26N6O/c1-13(2)11-17(24)20-16-4-8-19-23(16)15-5-9-22(10-6-15)12-14-3-7-18-21-14/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3,(H,18,21)(H,20,24)/p+1