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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-bromophenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-bromophenyl)methyl]-N-methyl-acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-bromophenyl)methyl]-N-methylacetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-bromobenzyl)-N-methyl-acetamide Formula: C22H25BrN3OS+ MolecularWeight: 459.4224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3OS/c1-25(14-16-6-8-18(23)9-7-16)21(27)15-26-12-10-17(11-13-26)22-24-19-4-2-3-5-20(19)28-22/h2-9,17H,10-15H2,1H3/p+1