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

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

C1CC(C[NH+](C1)CC(=O)NC2=C(C=CS2)C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=C(C=CS2)C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N4OS2/c20-10-13-7-9-25-18(13)22-17(24)12-23-8-3-4-14(11-23)19-21-15-5-1-2-6-16(15)26-19/h1-2,5-7,9,14H,3-4,8,11-12H2,(H,22,24)/p+1/t14-/m0/s1