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

Systemtic Name: N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH+]4CCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C21H23N3O2S/c1-26-17-9-10-18-19(13-17)27-21(23-18)15-5-7-16(8-6-15)22-20(25)14-24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,25)/p+1