N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

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