N-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(1,1-dimethylpropylamino)-2-oxo-ethyl]-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[2-(tert-amylamino)-2-keto-ethyl]-N-(4-fluorophenyl)-6-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C23H30FN4O2+ MolecularWeight: 413.508303

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CN(C1=CC=C(C=C1)F)C(=O)C2=C[NH+]=C(C=C2)N3CCCC3

Isomeric SMILES

CCC(C)(C)NC(=O)CN(C1=CC=C(C=C1)F)C(=O)C2=C[NH+]=C(C=C2)N3CCCC3

InChI

InChI=1S/C23H29FN4O2/c1-4-23(2,3)26-21(29)16-28(19-10-8-18(24)9-11-19)22(30)17-7-12-20(25-15-17)27-13-5-6-14-27/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,26,29)/p+1