2-[[2-[(4-chloranyl-1-methyl-pyrazol-3-yl)carbonylamino]-1,3-benzothiazol-6-yl]carbonyloxy]ethyl-diethyl-azanium

Systemtic Name: 2-[[2-[(4-chloranyl-1-methyl-pyrazol-3-yl)carbonylamino]-1,3-benzothiazol-6-yl]carbonyloxy]ethyl-diethyl-azanium Openeye Name: 2-[2-[(4-chloro-1-methyl-pyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carbonyl]oxyethyl-diethyl-ammonium CAS Name: 2-[[2-[[(4-chloro-1-methyl-3-pyrazolyl)-oxomethyl]amino]-1,3-benzothiazol-6-yl]-oxomethoxy]ethyl-diethylammonium IUPAC Name: 2-[2-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carbonyl]oxyethyl-diethylazanium Traditional Name: 2-[2-[(4-chloro-1-methyl-pyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carbonyl]oxyethyl-diethyl-ammonium Formula: C19H23ClN5O3S+ MolecularWeight: 436.93562

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=C3Cl)C

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=C3Cl)C

InChI

InChI=1S/C19H22ClN5O3S/c1-4-25(5-2)8-9-28-18(27)12-6-7-14-15(10-12)29-19(21-14)22-17(26)16-13(20)11-24(3)23-16/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,22,26)/p+1