6-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)sulfamoyl]-1,3-benzothiazol-2-olate

Systemtic Name: 6-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)sulfamoyl]-1,3-benzothiazol-2-olate Openeye Name: 6-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)sulfamoyl]-1,3-benzothiazol-2-olate CAS Name: 6-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)sulfamoyl]-1,3-benzothiazol-2-olate IUPAC Name: 6-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)sulfamoyl]-1,3-benzothiazol-2-olate Traditional Name: 6-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)sulfamoyl]-1,3-benzothiazol-2-olate Formula: C16H23N3O3S2 MolecularWeight: 369.50212

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)[O-])C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)[O-])C

InChI

InChI=1S/C16H23N3O3S2/c1-15(2)8-10(9-16(3,4)19-15)18-24(21,22)11-5-6-12-13(7-11)23-14(20)17-12/h5-7,10,18-19H,8-9H2,1-4H3,(H,17,20)