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

Systemtic Name: N-[2-[1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Openeye Name: N-[2-[1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide CAS Name: N-[2-[1-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopropanecarboxamide IUPAC Name: N-[2-[1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Traditional Name: N-[2-[1-[(1-methyl-3-phenyl-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:

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5CC5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5CC5

InChI

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