N-[3-(3-methylbutylamino)-3-oxidanylidene-propyl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrazine-2-carboxamide

Systemtic Name: N-[3-(3-methylbutylamino)-3-oxidanylidene-propyl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrazine-2-carboxamide Openeye Name: N-[3-(isopentylamino)-3-oxo-propyl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrazine-2-carboxamide CAS Name: N-[3-(3-methylbutylamino)-3-oxopropyl]-N-[3-(4-morpholin-4-iumyl)propyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrazine-2-carboxamide Traditional Name: N-[3-(isoamylamino)-3-keto-propyl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrazinamide Formula: C20H34N5O3+ MolecularWeight: 392.51566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CCN(CCC[NH+]1CCOCC1)C(=O)C2=NC=CN=C2

Isomeric SMILES

CC(C)CCNC(=O)CCN(CCC[NH+]1CCOCC1)C(=O)C2=NC=CN=C2

InChI

InChI=1S/C20H33N5O3/c1-17(2)4-6-23-19(26)5-11-25(20(27)18-16-21-7-8-22-18)10-3-9-24-12-14-28-15-13-24/h7-8,16-17H,3-6,9-15H2,1-2H3,(H,23,26)/p+1