3-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 3-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-22-20(27)14-6-4-7-15(12-14)23-19(26)13-25-11-5-9-17(25)21-24-16-8-2-3-10-18(16)28-21/h2-4,6-8,10,12,17H,5,9,11,13H2,1H3,(H,22,27)(H,23,26)/p+1/t17-/m1/s1