4-oxidanylidene-N-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]-4-piperazin-4-ium-1-yl-butanamide

Systemtic Name: 4-oxidanylidene-N-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]-4-piperazin-4-ium-1-yl-butanamide Openeye Name: 4-oxo-N-[4-(2-oxochromen-3-yl)thiazol-2-yl]-4-piperazin-4-ium-1-yl-butanamide CAS Name: 4-oxo-N-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-4-(1-piperazin-4-iumyl)butanamide IUPAC Name: 4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-4-piperazin-4-ium-1-ylbutanamide Traditional Name: 4-keto-N-[4-(2-ketochromen-3-yl)thiazol-2-yl]-4-piperazin-4-ium-1-yl-butyramide Formula: C20H21N4O4S+ MolecularWeight: 413.47014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CCC(=O)NC2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CCC(=O)NC2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H20N4O4S/c25-17(5-6-18(26)24-9-7-21-8-10-24)23-20-22-15(12-29-20)14-11-13-3-1-2-4-16(13)28-19(14)27/h1-4,11-12,21H,5-10H2,(H,22,23,25)/p+1