2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloro-4,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide Formula: C22H25ClN3OS+ MolecularWeight: 414.9714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H24ClN3OS/c1-14-11-15(2)21(17(23)12-14)25-20(27)13-26-9-7-16(8-10-26)22-24-18-5-3-4-6-19(18)28-22/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,25,27)/p+1