2-[(6-chloranyl-1,3-benzothiazol-2-yl)-(1,5-dimethylpyrazol-3-yl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-chloranyl-1,3-benzothiazol-2-yl)-(1,5-dimethylpyrazol-3-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C17H21ClN5OS+ MolecularWeight: 378.89954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=NN1C)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN5OS/c1-11-9-14(20-22(11)4)16(24)23(8-7-21(2)3)17-19-13-6-5-12(18)10-15(13)25-17/h5-6,9-10H,7-8H2,1-4H3/p+1