2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O3S/c1-14-9-10-15(25(27)28)12-17(14)22-20(26)13-24-11-5-4-7-18(24)21-23-16-6-2-3-8-19(16)29-21/h2-3,6,8-10,12,18H,4-5,7,11,13H2,1H3,(H,22,26)/p+1/t18-/m1/s1