N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

Systemtic Name: N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Openeye Name: N-[2-[1-[[1-(p-tolyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide CAS Name: N-[2-[1-[[1-(4-methylphenyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopropanecarboxamide IUPAC Name: N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Traditional Name: N-[2-[1-[[1-(p-tolyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Formula: C23H29N6O+ MolecularWeight: 405.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C=N2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C=N2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5CC5

InChI

InChI=1S/C23H28N6O/c1-17-2-6-20(7-3-17)28-16-18(14-25-28)15-27-12-9-21(10-13-27)29-22(8-11-24-29)26-23(30)19-4-5-19/h2-3,6-8,11,14,16,19,21H,4-5,9-10,12-13,15H2,1H3,(H,26,30)/p+1