N-[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxidanylidene-ethyl]-N-(phenylmethyl)furan-3-carboxamide

Systemtic Name: N-[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxidanylidene-ethyl]-N-(phenylmethyl)furan-3-carboxamide Openeye Name: N-benzyl-N-[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxo-ethyl]furan-3-carboxamide CAS Name: N-[2-[3-(4-morpholin-4-iumyl)propylamino]-2-oxoethyl]-N-(phenylmethyl)-3-furancarboxamide IUPAC Name: N-benzyl-N-[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxoethyl]furan-3-carboxamide Traditional Name: N-benzyl-N-[2-keto-2-(3-morpholin-4-ium-4-ylpropylamino)ethyl]-3-furamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)CN(CC2=CC=CC=C2)C(=O)C3=COC=C3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)CN(CC2=CC=CC=C2)C(=O)C3=COC=C3

InChI

InChI=1S/C21H27N3O4/c25-20(22-8-4-9-23-10-13-27-14-11-23)16-24(15-18-5-2-1-3-6-18)21(26)19-7-12-28-17-19/h1-3,5-7,12,17H,4,8-11,13-16H2,(H,22,25)/p+1