2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)ethanamide

Systemtic Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)ethanamide Openeye Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-methylisoxazol-5-yl)acetamide CAS Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-(3-methyl-5-isoxazolyl)acetamide IUPAC Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide Traditional Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-methylisoxazol-5-yl)acetamide Formula: C17H19N4O2S+ MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2S/c1-11-9-16(23-20-11)19-15(22)10-21-8-4-6-13(21)17-18-12-5-2-3-7-14(12)24-17/h2-3,5,7,9,13H,4,6,8,10H2,1H3,(H,19,22)/p+1/t13-/m0/s1