N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-oxidanylpiperidin-1-ium-1-yl)-N-(phenylmethyl)ethanamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-oxidanylpiperidin-1-ium-1-yl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(4-hydroxypiperidin-1-ium-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(4-hydroxy-1-piperidin-1-iumyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(4-hydroxypiperidin-1-ium-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-benzyl-2-(4-hydroxypiperidin-1-ium-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C[NH+]4CCC(CC4)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C[NH+]4CCC(CC4)O

InChI

InChI=1S/C22H25N3O2S/c1-16-6-5-9-19-21(16)23-22(28-19)25(14-17-7-3-2-4-8-17)20(27)15-24-12-10-18(26)11-13-24/h2-9,18,26H,10-15H2,1H3/p+1