N-[(4-fluorophenyl)methyl]-N-[3-oxidanylidene-3-(2-pyrrolidin-1-ium-1-ylethylamino)propyl]pyrazine-2-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-N-[3-oxidanylidene-3-(2-pyrrolidin-1-ium-1-ylethylamino)propyl]pyrazine-2-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(2-pyrrolidin-1-ium-1-ylethylamino)propyl]pyrazine-2-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-[2-(1-pyrrolidin-1-iumyl)ethylamino]propyl]-2-pyrazinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(2-pyrrolidin-1-ium-1-ylethylamino)propyl]pyrazine-2-carboxamide Traditional Name: N-(4-fluorobenzyl)-N-[3-keto-3-(2-pyrrolidin-1-ium-1-ylethylamino)propyl]pyrazinamide Formula: C21H27FN5O2+ MolecularWeight: 400.469783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)CCN(CC2=CC=C(C=C2)F)C(=O)C3=NC=CN=C3

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)CCN(CC2=CC=C(C=C2)F)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C21H26FN5O2/c22-18-5-3-17(4-6-18)16-27(21(29)19-15-23-8-9-24-19)13-7-20(28)25-10-14-26-11-1-2-12-26/h3-6,8-9,15H,1-2,7,10-14,16H2,(H,25,28)/p+1