2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C1=CC=CS1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H23N3OS2/c1-14(17-7-4-12-25-17)21-19(24)13-23-10-8-15(9-11-23)20-22-16-5-2-3-6-18(16)26-20/h2-7,12,14-15H,8-11,13H2,1H3,(H,21,24)/p+1/t14-/m1/s1