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

Systemtic Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(methylcarbamoyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-acetamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c1-23-22(28)25-20(27)19(15-7-3-2-4-8-15)26-13-11-16(12-14-26)21-24-17-9-5-6-10-18(17)29-21/h2-10,16,19H,11-14H2,1H3,(H2,23,25,27,28)/p+1/t19-/m0/s1