N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

Systemtic Name: N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Formula: C23H31N4O+ MolecularWeight: 379.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O/c28-23(20-10-4-5-11-20)25-22-12-15-24-27(22)21-13-17-26(18-14-21)16-6-9-19-7-2-1-3-8-19/h1-3,6-9,12,15,20-21H,4-5,10-11,13-14,16-18H2,(H,25,28)/p+1/b9-6+