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

Systemtic Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,4-dimethylphenyl)ethanamide Openeye Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,4-dimethylphenyl)acetamide CAS Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2,4-dimethylphenyl)acetamide IUPAC Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,4-dimethylphenyl)acetamide Traditional Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,4-dimethylphenyl)acetamide Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H25N3OS/c1-15-9-10-18(16(2)12-15)23-21(26)14-25-11-5-6-17(13-25)22-24-19-7-3-4-8-20(19)27-22/h3-4,7-10,12,17H,5-6,11,13-14H2,1-2H3,(H,23,26)/p+1/t17-/m1/s1