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

Systemtic Name: N-(3-methylbutyl)-N-[3-oxidanylidene-3-(2-piperidin-1-ium-1-ylethylamino)propyl]pyrazine-2-carboxamide Openeye Name: N-isopentyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]pyrazine-2-carboxamide CAS Name: N-(3-methylbutyl)-N-[3-oxo-3-[2-(1-piperidin-1-iumyl)ethylamino]propyl]-2-pyrazinecarboxamide IUPAC Name: N-(3-methylbutyl)-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]pyrazine-2-carboxamide Traditional Name: N-isoamyl-N-[3-keto-3-(2-piperidin-1-ium-1-ylethylamino)propyl]pyrazinamide Formula: C20H34N5O2+ MolecularWeight: 376.51626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N5O2/c1-17(2)6-13-25(20(27)18-16-21-8-9-22-18)14-7-19(26)23-10-15-24-11-4-3-5-12-24/h8-9,16-17H,3-7,10-15H2,1-2H3,(H,23,26)/p+1