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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide Formula: C26H26N3O2S+ MolecularWeight: 444.56854

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O2S/c30-25(27-20-10-12-22(13-11-20)31-21-6-2-1-3-7-21)18-29-16-14-19(15-17-29)26-28-23-8-4-5-9-24(23)32-26/h1-13,19H,14-18H2,(H,27,30)/p+1