N-[2-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C22H30N7O+ MolecularWeight: 408.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CCCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H29N7O/c1-3-11-28-16-19(17(2)26-28)15-27-12-7-20(8-13-27)29-21(6-10-24-29)25-22(30)18-5-4-9-23-14-18/h4-6,9-10,14,16,20H,3,7-8,11-13,15H2,1-2H3,(H,25,30)/p+1