N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C17H21N3O3S/c1-22-12-5-6-15(23-2)13(9-12)14-11-24-17(18-14)19-16(21)10-20-7-3-4-8-20/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,18,19,21)/p+1