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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C[NH+]2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C[NH+]2CCCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S/c1-27-19-11-4-2-8-16(19)14-23-21(26)15-25-13-7-6-10-18(25)22-24-17-9-3-5-12-20(17)28-22/h2-5,8-9,11-12,18H,6-7,10,13-15H2,1H3,(H,23,26)/p+1/t18-/m1/s1