2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCC[C@@H]2C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H25N3OS/c1-3-16-9-6-8-15(2)21(16)24-20(26)14-25-13-7-11-18(25)22-23-17-10-4-5-12-19(17)27-22/h4-6,8-10,12,18H,3,7,11,13-14H2,1-2H3,(H,24,26)/p+1/t18-/m1/s1