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

Systemtic Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N,N-dimethyl-benzamide Openeye Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N,N-dimethyl-benzamide CAS Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-N,N-dimethylbenzamide IUPAC Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N,N-dimethylbenzamide Traditional Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N,N-dimethyl-benzamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c1-25(2)22(28)15-9-11-16(12-10-15)23-20(27)14-26-13-5-7-18(26)21-24-17-6-3-4-8-19(17)29-21/h3-4,6,8-12,18H,5,7,13-14H2,1-2H3,(H,23,27)/p+1/t18-/m1/s1