1,3-benzothiazol-2-ylmethyl-methyl-[3-oxidanylidene-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]propyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[3-oxidanylidene-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]propyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[3-oxo-3-[4-(2-oxo-1-pyrrolidinyl)anilino]propyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[3-keto-3-[4-(2-ketopyrrolidino)anilino]propyl]-methyl-ammonium Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=CC=C(C=C1)N2CCCC2=O)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](CCC(=O)NC1=CC=C(C=C1)N2CCCC2=O)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4O2S/c1-25(15-21-24-18-5-2-3-6-19(18)29-21)14-12-20(27)23-16-8-10-17(11-9-16)26-13-4-7-22(26)28/h2-3,5-6,8-11H,4,7,12-15H2,1H3,(H,23,27)/p+1