N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-1,3-benzothiazole-6-carboxamide Formula: C20H24N3OS2+ MolecularWeight: 386.55406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=CC3=C(C=C2)N=CS3)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=CC3=C(C=C2)N=CS3)C4=CC=CS4

InChI

InChI=1S/C20H23N3OS2/c1-14-6-8-23(9-7-14)17(18-3-2-10-25-18)12-21-20(24)15-4-5-16-19(11-15)26-13-22-16/h2-5,10-11,13-14,17H,6-9,12H2,1H3,(H,21,24)/p+1/t17-/m1/s1