N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

Systemtic Name: N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-[(3-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-[1-(3-hydroxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC(=CC=C4)O

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC(=CC=C4)O

InChI

InChI=1S/C21H28N4O2/c26-19-7-3-4-16(14-19)15-24-12-9-18(10-13-24)25-20(8-11-22-25)23-21(27)17-5-1-2-6-17/h3-4,7-8,11,14,17-18,26H,1-2,5-6,9-10,12-13,15H2,(H,23,27)/p+1