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

Systemtic Name: 5-azanyl-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-3-one Openeye Name: 5-amino-4-[4-(4-methoxyphenyl)thiazol-2-yl]-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-3-one CAS Name: 5-amino-4-[4-(4-methoxyphenyl)-2-thiazolyl]-1-[3-(4-morpholin-4-iumyl)propyl]-2H-pyrrol-3-one IUPAC Name: 5-amino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-3-one Traditional Name: 5-amino-4-[4-(4-methoxyphenyl)thiazol-2-yl]-1-(3-morpholin-4-ium-4-ylpropyl)-2-pyrrolin-3-one Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-27-16-5-3-15(4-6-16)17-14-29-21(23-17)19-18(26)13-25(20(19)22)8-2-7-24-9-11-28-12-10-24/h3-6,14H,2,7-13,22H2,1H3/p+1