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

Systemtic Name: N-[3-(hexylamino)-3-oxidanylidene-propyl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrazine-2-carboxamide Openeye Name: N-[3-(hexylamino)-3-oxo-propyl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrazine-2-carboxamide CAS Name: N-[3-(hexylamino)-3-oxopropyl]-N-[3-(4-morpholin-4-iumyl)propyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-(hexylamino)-3-oxopropyl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrazine-2-carboxamide Traditional Name: N-[3-(hexylamino)-3-keto-propyl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrazinamide Formula: C21H36N5O3+ MolecularWeight: 406.54224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N5O3/c1-2-3-4-5-8-24-20(27)7-13-26(21(28)19-18-22-9-10-23-19)12-6-11-25-14-16-29-17-15-25/h9-10,18H,2-8,11-17H2,1H3,(H,24,27)/p+1