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

Systemtic Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(ethylcarbamoyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(ethylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(ethylcarbamoyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(ethylcarbamoyl)-2-phenyl-acetamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-2-24-23(29)26-21(28)20(16-8-4-3-5-9-16)27-14-12-17(13-15-27)22-25-18-10-6-7-11-19(18)30-22/h3-11,17,20H,2,12-15H2,1H3,(H2,24,26,28,29)/p+1/t20-/m0/s1