2-[1,3-benzothiazol-2-yl-(2,5-dimethylpyrazol-3-yl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(2,5-dimethylpyrazol-3-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(2,5-dimethylpyrazole-3-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(2,5-dimethylpyrazole-3-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(2,5-dimethylpyrazole-3-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C17H22N5OS+ MolecularWeight: 344.45448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C17H21N5OS/c1-12-11-14(21(4)19-12)16(23)22(10-9-20(2)3)17-18-13-7-5-6-8-15(13)24-17/h5-8,11H,9-10H2,1-4H3/p+1