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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-N-[3-oxidanylidene-3-(phenethylamino)propyl]pyrazine-2-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-N-[3-oxo-3-(phenethylamino)propyl]pyrazine-2-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-N-[3-oxo-3-(phenethylamino)propyl]-2-pyrazinecarboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-N-[3-oxo-3-(phenethylamino)propyl]pyrazine-2-carboxamide Traditional Name: N-[3-keto-3-(phenethylamino)propyl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrazinamide Formula: C23H32N5O3+ MolecularWeight: 426.53188

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN(CCC(=O)NCCC2=CC=CC=C2)C(=O)C3=NC=CN=C3

Isomeric SMILES

C1COCC[NH+]1CCCN(CCC(=O)NCCC2=CC=CC=C2)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C23H31N5O3/c29-22(26-9-7-20-5-2-1-3-6-20)8-14-28(23(30)21-19-24-10-11-25-21)13-4-12-27-15-17-31-18-16-27/h1-3,5-6,10-11,19H,4,7-9,12-18H2,(H,26,29)/p+1