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

Systemtic Name: N-[(4-fluorophenyl)methyl]-N-[3-oxidanylidene-3-(2-piperidin-1-ium-1-ylethylamino)propyl]pyrazine-2-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]pyrazine-2-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-[2-(1-piperidin-1-iumyl)ethylamino]propyl]-2-pyrazinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]pyrazine-2-carboxamide Traditional Name: N-(4-fluorobenzyl)-N-[3-keto-3-(2-piperidin-1-ium-1-ylethylamino)propyl]pyrazinamide Formula: C22H29FN5O2+ MolecularWeight: 414.496363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)CCN(CC2=CC=C(C=C2)F)C(=O)C3=NC=CN=C3

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)CCN(CC2=CC=C(C=C2)F)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C22H28FN5O2/c23-19-6-4-18(5-7-19)17-28(22(30)20-16-24-9-10-25-20)14-8-21(29)26-11-15-27-12-2-1-3-13-27/h4-7,9-10,16H,1-3,8,11-15,17H2,(H,26,29)/p+1