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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(diphenylmethyl)ethanamide Openeye Name: N-benzhydryl-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(diphenylmethyl)acetamide IUPAC Name: N-benzhydryl-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-benzhydryl-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Formula: C27H28N3OS+ MolecularWeight: 442.59572

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3OS/c31-25(29-26(20-9-3-1-4-10-20)21-11-5-2-6-12-21)19-30-17-15-22(16-18-30)27-28-23-13-7-8-14-24(23)32-27/h1-14,22,26H,15-19H2,(H,29,31)/p+1