N-[3-[(2-fluorophenyl)amino]-3-oxidanylidene-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide

Systemtic Name: N-[3-[(2-fluorophenyl)amino]-3-oxidanylidene-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide Openeye Name: N-[3-(2-fluoroanilino)-3-oxo-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide CAS Name: N-[3-(2-fluoroanilino)-3-oxopropyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide Traditional Name: N-[3-(2-fluoroanilino)-3-keto-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazinamide Formula: C20H25FN5O3+ MolecularWeight: 402.442603

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(CCC(=O)NC2=CC=CC=C2F)C(=O)C3=NC=CN=C3

Isomeric SMILES

C1COCC[NH+]1CCN(CCC(=O)NC2=CC=CC=C2F)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C20H24FN5O3/c21-16-3-1-2-4-17(16)24-19(27)5-8-26(10-9-25-11-13-29-14-12-25)20(28)18-15-22-6-7-23-18/h1-4,6-7,15H,5,8-14H2,(H,24,27)/p+1