N'-(1,3-benzothiazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ethanediamide

Systemtic Name: N'-(1,3-benzothiazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ethanediamide Openeye Name: N'-(1,3-benzothiazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)oxamide CAS Name: N'-(1,3-benzothiazol-2-yl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)oxamide IUPAC Name: N'-(1,3-benzothiazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)oxamide Traditional Name: N'-(1,3-benzothiazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)oxamide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C(=O)NC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C(=O)NC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C18H24N4O2S/c1-17(2)9-11(10-18(3,4)22-17)19-14(23)15(24)21-16-20-12-7-5-6-8-13(12)25-16/h5-8,11,22H,9-10H2,1-4H3,(H,19,23)(H,20,21,24)/p+1