N-[3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-oxidanylidene-propyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-[3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-oxidanylidene-propyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[3-[(6-morpholinopyridin-1-ium-3-yl)methylamino]-3-oxo-propyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[3-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: 4-keto-N-[3-keto-3-[(6-morpholinopyridin-1-ium-3-yl)methylamino]propyl]-4-(2-thienyl)butyramide Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N4O4S/c26-17(18-2-1-13-30-18)4-6-20(27)22-8-7-21(28)24-15-16-3-5-19(23-14-16)25-9-11-29-12-10-25/h1-3,5,13-14H,4,6-12,15H2,(H,22,27)(H,24,28)/p+1