2-[4-(4-chlorophenyl)carbonylpiperidin-1-ium-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[4-(4-chlorophenyl)carbonylpiperidin-1-ium-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperidin-1-iumyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C22H23ClN3O3S+ MolecularWeight: 444.95432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCC(CC3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCC(CC3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O3S/c1-29-17-6-7-18-19(12-17)30-22(24-18)25-20(27)13-26-10-8-15(9-11-26)21(28)14-2-4-16(23)5-3-14/h2-7,12,15H,8-11,13H2,1H3,(H,24,25,27)/p+1