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

Systemtic Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)ethanamide Openeye Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)acetamide CAS Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(cyclohexylamino)-oxomethyl]acetamide IUPAC Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)acetamide Traditional Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)acetamide Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)C[NH+]2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H28N4O2S/c26-19(24-21(27)22-16-8-2-1-3-9-16)14-25-12-6-7-15(13-25)20-23-17-10-4-5-11-18(17)28-20/h4-5,10-11,15-16H,1-3,6-9,12-14H2,(H2,22,24,26,27)/p+1/t15-/m0/s1