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

Systemtic Name: N-[2-[1-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Openeye Name: N-[2-[1-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide CAS Name: N-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopropanecarboxamide IUPAC Name: N-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Traditional Name: N-[2-[1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4)O

InChI

InChI=1S/C24H30N4O2/c1-24(2,30)13-9-18-3-5-19(6-4-18)17-27-15-11-21(12-16-27)28-22(10-14-25-28)26-23(29)20-7-8-20/h3-6,10,14,20-21,30H,7-8,11-12,15-17H2,1-2H3,(H,26,29)/p+1