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

Systemtic Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-chloranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-chloro-4-methyl-phenyl)acetamide CAS Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-(3-chloro-4-methylphenyl)acetamide IUPAC Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-chloro-4-methylphenyl)acetamide Traditional Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-chloro-4-methyl-phenyl)acetamide Formula: C20H21ClN3OS+ MolecularWeight: 386.91824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3OS/c1-13-8-9-14(11-15(13)21)22-19(25)12-24-10-4-6-17(24)20-23-16-5-2-3-7-18(16)26-20/h2-3,5,7-9,11,17H,4,6,10,12H2,1H3,(H,22,25)/p+1/t17-/m0/s1