N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide Openeye Name: N-[2-[1-(2,3-dihydrobenzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide CAS Name: N-[2-[1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2,2-dimethylpropanamide IUPAC Name: N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide Traditional Name: N-[2-[1-(coumaran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propionamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H30N4O2/c1-22(2,3)21(27)24-20-6-10-23-26(20)18-7-11-25(12-8-18)15-16-4-5-19-17(14-16)9-13-28-19/h4-6,10,14,18H,7-9,11-13,15H2,1-3H3,(H,24,27)/p+1