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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-cyano-2-thienyl)acetamide Formula: C19H19N4OS2+ MolecularWeight: 383.51036

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C19H18N4OS2/c20-11-14-7-10-25-18(14)22-17(24)12-23-8-5-13(6-9-23)19-21-15-3-1-2-4-16(15)26-19/h1-4,7,10,13H,5-6,8-9,12H2,(H,22,24)/p+1