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

Systemtic Name: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-dimethylaminophenyl)methyl]ethanamide Openeye Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-dimethylaminophenyl)methyl]acetamide CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(4-dimethylaminophenyl)methyl]acetamide IUPAC Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-dimethylaminophenyl)methyl]acetamide Traditional Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[4-(dimethylamino)benzyl]acetamide Formula: C23H28ClN4OS+ MolecularWeight: 444.01262

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)C3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)C3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C23H27ClN4OS/c1-27(2)19-6-3-16(4-7-19)14-25-22(29)15-28-11-9-17(10-12-28)23-26-20-13-18(24)5-8-21(20)30-23/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,25,29)/p+1