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

Systemtic Name: 5-azanyl-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-3-one Openeye Name: 5-amino-4-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-3-one CAS Name: 5-amino-4-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-2H-pyrrol-3-one IUPAC Name: 5-amino-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-3-one Traditional Name: 5-amino-4-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-1-(2-morpholin-4-ium-4-ylethyl)-2-pyrrolin-3-one Formula: C21H27N4O4S+ MolecularWeight: 431.52848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c1-27-17-4-3-14(11-18(17)28-2)15-13-30-21(23-15)19-16(26)12-25(20(19)22)6-5-24-7-9-29-10-8-24/h3-4,11,13H,5-10,12,22H2,1-2H3/p+1