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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(3-chlorophenyl)methyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-chlorobenzyl)acetamide Formula: C21H23ClN3OS+ MolecularWeight: 400.94482

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NCC4=CC(=CC=C4)Cl

InChI

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