methyl 5-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C20H23N2O3S+ MolecularWeight: 371.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)C(=O)OC

InChI

InChI=1S/C20H22N2O3S/c1-13-16(20(23)24-2)11-15(25-13)12-22-9-7-14(8-10-22)19-21-17-5-3-4-6-18(17)26-19/h3-6,11,14H,7-10,12H2,1-2H3/p+1