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

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(4-acetylphenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C21H22N3O2S+ MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-14(25)15-8-10-16(11-9-15)22-20(26)13-24-12-4-6-18(24)21-23-17-5-2-3-7-19(17)27-21/h2-3,5,7-11,18H,4,6,12-13H2,1H3,(H,22,26)/p+1/t18-/m1/s1