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

Systemtic Name: N-hexyl-N-[3-oxidanylidene-3-(2-piperidin-1-ium-1-ylethylamino)propyl]pyrazine-2-carboxamide Openeye Name: N-hexyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]pyrazine-2-carboxamide CAS Name: N-hexyl-N-[3-oxo-3-[2-(1-piperidin-1-iumyl)ethylamino]propyl]-2-pyrazinecarboxamide IUPAC Name: N-hexyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]pyrazine-2-carboxamide Traditional Name: N-hexyl-N-[3-keto-3-(2-piperidin-1-ium-1-ylethylamino)propyl]pyrazinamide Formula: C21H36N5O2+ MolecularWeight: 390.54284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCC(=O)NCC[NH+]1CCCCC1)C(=O)C2=NC=CN=C2

Isomeric SMILES

CCCCCCN(CCC(=O)NCC[NH+]1CCCCC1)C(=O)C2=NC=CN=C2

InChI

InChI=1S/C21H35N5O2/c1-2-3-4-8-15-26(21(28)19-18-22-10-11-23-19)16-9-20(27)24-12-17-25-13-6-5-7-14-25/h10-11,18H,2-9,12-17H2,1H3,(H,24,27)/p+1