5-azanyl-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(3-propan-2-yloxypropyl)-1,2-dihydropyrrol-1-ium-3-one

Systemtic Name: 5-azanyl-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(3-propan-2-yloxypropyl)-1,2-dihydropyrrol-1-ium-3-one Openeye Name: 5-amino-4-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-1-(3-isopropoxypropyl)-1,2-dihydropyrrol-1-ium-3-one CAS Name: 5-amino-4-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-1-(3-propan-2-yloxypropyl)-1,2-dihydropyrrol-1-ium-3-one IUPAC Name: 5-amino-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(3-propan-2-yloxypropyl)-1,2-dihydropyrrol-1-ium-3-one Traditional Name: 5-amino-4-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-1-(3-isopropoxypropyl)-2-pyrrolin-1-ium-3-one Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH+]1CC(=O)C(=C1N)C2=NC(=CS2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)OCCC[NH+]1CC(=O)C(=C1N)C2=NC(=CS2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H27N3O4S/c1-13(2)28-9-5-8-24-11-16(25)19(20(24)22)21-23-15(12-29-21)14-6-7-17(26-3)18(10-14)27-4/h6-7,10,12-13H,5,8-9,11,22H2,1-4H3/p+1