2-pyrrol-1-yl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-pyrrol-1-yl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-pyrrol-1-yl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-(1-pyrrolyl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-pyrrol-1-yl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-pyrrol-1-yl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3-benzothiazole-6-carboxamide Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)C

InChI

InChI=1S/C21H26N4OS/c1-20(2)12-15(13-21(3,4)24-20)22-18(26)14-7-8-16-17(11-14)27-19(23-16)25-9-5-6-10-25/h5-11,15,24H,12-13H2,1-4H3,(H,22,26)/p+1