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

Systemtic Name: methyl 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]furan-3-carboxylic acid methyl ester Formula: C19H21N2O3S+ MolecularWeight: 357.44664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=C(OC=C1)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N2O3S/c1-23-19(22)14-8-11-24-16(14)12-21-9-6-13(7-10-21)18-20-15-4-2-3-5-17(15)25-18/h2-5,8,11,13H,6-7,9-10,12H2,1H3/p+1