2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Formula: C21H23ClN3OS+ MolecularWeight: 400.94482

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=C(S2)C=CC(=C3)Cl)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=C(S2)C=CC(=C3)Cl)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3OS/c22-17-6-7-19-18(12-17)24-21(27-19)16-8-10-25(11-9-16)14-20(26)23-13-15-4-2-1-3-5-15/h1-7,12,16H,8-11,13-14H2,(H,23,26)/p+1