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

Systemtic Name: 2-[(2,5-dimethylpyrazol-3-yl)carbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2,5-dimethylpyrazole-3-carbonyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(2,5-dimethylpyrazole-3-carbonyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2,5-dimethylpyrazole-3-carbonyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C18H24N5O2S+ MolecularWeight: 374.48046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)OC)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)OC)C

InChI

InChI=1S/C18H23N5O2S/c1-12-10-15(22(4)20-12)17(24)23(9-8-21(2)3)18-19-14-7-6-13(25-5)11-16(14)26-18/h6-7,10-11H,8-9H2,1-5H3/p+1