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

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-chloranyl-4-methoxy-phenyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-chloro-4-methoxy-phenyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-(3-chloro-4-methoxyphenyl)acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-chloro-4-methoxy-phenyl)acetamide Formula: C20H21ClN3O2S+ MolecularWeight: 402.91764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC[C@@H]2C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-26-17-9-8-13(11-14(17)21)22-19(25)12-24-10-4-6-16(24)20-23-15-5-2-3-7-18(15)27-20/h2-3,5,7-9,11,16H,4,6,10,12H2,1H3,(H,22,25)/p+1/t16-/m1/s1