N-[3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxidanylidene-propyl]-N-phenethyl-pyrazine-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)CCN(CCC2=CC=CC=C2)C(=O)C3=NC=CN=C3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)CCN(CCC2=CC=CC=C2)C(=O)C3=NC=CN=C3

InChI

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