(3,4-dimethoxyphenyl)-[5-[(4-pyrrolidin-1-ium-1-yl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[5-[(4-pyrrolidin-1-ium-1-yl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[5-[(4-pyrrolidin-1-ium-1-ylthiazol-2-yl)sulfanylmethyl]-2-furyl]methanone CAS Name: (3,4-dimethoxyphenyl)-[5-[[[4-(1-pyrrolidin-1-iumyl)-2-thiazolyl]thio]methyl]-2-furanyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[5-[(4-pyrrolidin-1-ium-1-yl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[5-[[(4-pyrrolidin-1-ium-1-ylthiazol-2-yl)thio]methyl]-2-furyl]methanone Formula: C21H23N2O4S2+ MolecularWeight: 431.54832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=CC=C(O2)CSC3=NC(=CS3)[NH+]4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=CC=C(O2)CSC3=NC(=CS3)[NH+]4CCCC4)OC

InChI

InChI=1S/C21H22N2O4S2/c1-25-16-7-5-14(11-18(16)26-2)20(24)17-8-6-15(27-17)12-28-21-22-19(13-29-21)23-9-3-4-10-23/h5-8,11,13H,3-4,9-10,12H2,1-2H3/p+1