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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-benzyloxyphenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-benzoxyphenyl)acetamide Formula: C27H28N3O2S+ MolecularWeight: 458.59512

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2S/c31-26(28-22-10-12-23(13-11-22)32-19-20-6-2-1-3-7-20)18-30-16-14-21(15-17-30)27-29-24-8-4-5-9-25(24)33-27/h1-13,21H,14-19H2,(H,28,31)/p+1