2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-chloro-2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-chloro-2-methoxy-5-methyl-phenyl)acetamide Formula: C22H25ClN3O2S+ MolecularWeight: 430.9708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24ClN3O2S/c1-14-11-18(19(28-2)12-16(14)23)24-21(27)13-26-9-7-15(8-10-26)22-25-17-5-3-4-6-20(17)29-22/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,24,27)/p+1