2-(4-oxidanylpiperidin-1-ium-1-yl)-N-[2-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-3-yl]ethanamide

Systemtic Name: 2-(4-oxidanylpiperidin-1-ium-1-yl)-N-[2-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-3-yl]ethanamide Openeye Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-N-(2-phenyl-5-tetralin-6-yl-pyrazol-3-yl)acetamide CAS Name: 2-(4-hydroxy-1-piperidin-1-iumyl)-N-[2-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyrazolyl]acetamide IUPAC Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-N-[2-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-3-yl]acetamide Traditional Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-N-(2-phenyl-5-tetralin-6-yl-pyrazol-3-yl)acetamide Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C3=NN(C(=C3)NC(=O)C[NH+]4CCC(CC4)O)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C3=NN(C(=C3)NC(=O)C[NH+]4CCC(CC4)O)C5=CC=CC=C5

InChI

InChI=1S/C26H30N4O2/c31-23-12-14-29(15-13-23)18-26(32)27-25-17-24(28-30(25)22-8-2-1-3-9-22)21-11-10-19-6-4-5-7-20(19)16-21/h1-3,8-11,16-17,23,31H,4-7,12-15,18H2,(H,27,32)/p+1