N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-yl-acetamide Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C[NH+]3CCCCC3)C

InChI

InChI=1S/C16H23N3O2S/c1-16(2)8-11-14(12(20)9-16)22-15(17-11)18-13(21)10-19-6-4-3-5-7-19/h3-10H2,1-2H3,(H,17,18,21)/p+1