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

Systemtic Name: N-[2-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Openeye Name: N-[2-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide CAS Name: N-[2-[1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopropanecarboxamide IUPAC Name: N-[2-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Traditional Name: N-[2-[1-(3-phenoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H28N4O2/c30-25(20-9-10-20)27-24-11-14-26-29(24)21-12-15-28(16-13-21)18-19-5-4-8-23(17-19)31-22-6-2-1-3-7-22/h1-8,11,14,17,20-21H,9-10,12-13,15-16,18H2,(H,27,30)/p+1