2-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-(2,5-dimethyl-1-pyrrolyl)-1,3-benzothiazol-6-yl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C18H23N4OS+ MolecularWeight: 343.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NCC[NH+](C)C)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NCC[NH+](C)C)C

InChI

InChI=1S/C18H22N4OS/c1-12-5-6-13(2)22(12)18-20-15-8-7-14(11-16(15)24-18)17(23)19-9-10-21(3)4/h5-8,11H,9-10H2,1-4H3,(H,19,23)/p+1