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

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)carbonylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(4-fluorobenzoyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(4-fluorobenzoyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(4-fluorobenzoyl)piperidin-1-ium-1-yl]acetamide Formula: C23H25FN3O3S+ MolecularWeight: 442.526303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCC(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCC(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H24FN3O3S/c1-2-30-18-7-8-19-20(13-18)31-23(25-19)26-21(28)14-27-11-9-16(10-12-27)22(29)15-3-5-17(24)6-4-15/h3-8,13,16H,2,9-12,14H2,1H3,(H,25,26,28)/p+1