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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(2-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-o-anisyl-acetamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S/c1-27-19-8-4-2-6-17(19)14-23-21(26)15-25-12-10-16(11-13-25)22-24-18-7-3-5-9-20(18)28-22/h2-9,16H,10-15H2,1H3,(H,23,26)/p+1