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

Systemtic Name: N-[2-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)pyrazol-3-yl]cyclopentanecarboxamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O/c26-21(18-8-4-5-9-18)23-20-10-13-22-25(20)19-11-14-24(15-12-19)16-17-6-2-1-3-7-17/h1-3,6-7,10,13,18-19H,4-5,8-9,11-12,14-16H2,(H,23,26)/p+1