4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[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=C(C=C1)NC(=O)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

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