1-[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[(2-fluorobenzyl)amino]-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C21H25FN3O3+ MolecularWeight: 386.439903

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC(=O)NCC3=CC=CC=C3F

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC(=O)NCC3=CC=CC=C3F

InChI

InChI=1S/C21H24FN3O3/c22-17-6-2-1-5-16(17)13-23-20(27)14-25-11-9-15(10-12-25)21(28)24-18-7-3-4-8-19(18)26/h1-8,15,26H,9-14H2,(H,23,27)(H,24,28)/p+1