3-[[1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazol-5-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazol-5-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[1-(4-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(4-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl]amino]propyl-dimethyl-ammonium Formula: C18H22ClN4OS+ MolecularWeight: 377.91148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NCCC[NH+](C)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NCCC[NH+](C)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN4OS/c1-12-15-11-16(17(24)20-9-4-10-22(2)3)25-18(15)23(21-12)14-7-5-13(19)6-8-14/h5-8,11H,4,9-10H2,1-3H3,(H,20,24)/p+1