5-azanyl-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-3-one

Systemtic Name: 5-azanyl-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-3-one Openeye Name: 5-amino-4-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-3-one CAS Name: 5-amino-4-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-1-[3-(4-morpholin-4-iumyl)propyl]-2H-pyrrol-3-one IUPAC Name: 5-amino-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-3-one Traditional Name: 5-amino-4-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-1-(3-morpholin-4-ium-4-ylpropyl)-2-pyrrolin-3-one Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)CCC[NH+]4CCOCC4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)CCC[NH+]4CCOCC4)N)OC

InChI

InChI=1S/C22H28N4O4S/c1-28-18-5-4-15(12-19(18)29-2)16-14-31-22(24-16)20-17(27)13-26(21(20)23)7-3-6-25-8-10-30-11-9-25/h4-5,12,14H,3,6-11,13,23H2,1-2H3/p+1