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

Systemtic Name: N-[3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide Openeye Name: N-[3-[(4-fluorophenyl)methylamino]-3-oxo-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide CAS Name: N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide Traditional Name: N-[3-[(4-fluorobenzyl)amino]-3-keto-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazinamide Formula: C21H27FN5O3+ MolecularWeight: 416.469183

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(CCC(=O)NCC2=CC=C(C=C2)F)C(=O)C3=NC=CN=C3

Isomeric SMILES

C1COCC[NH+]1CCN(CCC(=O)NCC2=CC=C(C=C2)F)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C21H26FN5O3/c22-18-3-1-17(2-4-18)15-25-20(28)5-8-27(10-9-26-11-13-30-14-12-26)21(29)19-16-23-6-7-24-19/h1-4,6-7,16H,5,8-15H2,(H,25,28)/p+1