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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

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