1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[4-(1-pyrrolidin-1-iumylmethyl)anilino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]-methyl-ammonium Formula: C22H28N4OS+2 MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C22H26N4OS/c1-25(16-22-24-19-6-2-3-7-20(19)28-22)15-21(27)23-18-10-8-17(9-11-18)14-26-12-4-5-13-26/h2-3,6-11H,4-5,12-16H2,1H3,(H,23,27)/p+2