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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C

Isomeric SMILES

CC(C)C1=NNC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C

InChI

InChI=1S/C17H26N6O/c1-12(2)16-10-14(20-21-16)11-22-8-5-15(6-9-22)23-17(4-7-18-23)19-13(3)24/h4,7,10,12,15H,5-6,8-9,11H2,1-3H3,(H,19,24)(H,20,21)/p+1