(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(cyclohexylamino)-oxomethyl]propanamide IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propionamide Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H30N4O2S/c1-15(20(27)25-22(28)23-17-7-3-2-4-8-17)26-13-11-16(12-14-26)21-24-18-9-5-6-10-19(18)29-21/h5-6,9-10,15-17H,2-4,7-8,11-14H2,1H3,(H2,23,25,27,28)/p+1/t15-/m1/s1