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

Systemtic Name: 5-methyl-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]-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazine-2-carboxamide CAS Name: 5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-[3-(4-morpholin-4-iumyl)propyl]-2-pyrazinecarboxamide IUPAC Name: 5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrazine-2-carboxamide Traditional Name: N-[3-(isoamylamino)-3-keto-propyl]-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazinamide Formula: C21H36N5O3+ MolecularWeight: 406.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)N(CCC[NH+]2CCOCC2)CCC(=O)NCCC(C)C

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)N(CCC[NH+]2CCOCC2)CCC(=O)NCCC(C)C

InChI

InChI=1S/C21H35N5O3/c1-17(2)5-7-22-20(27)6-10-26(9-4-8-25-11-13-29-14-12-25)21(28)19-16-23-18(3)15-24-19/h15-17H,4-14H2,1-3H3,(H,22,27)/p+1