3-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(2-ethyl-5-methyl-pyrazol-3-yl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(2-ethyl-5-methyl-pyrazol-3-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2-ethyl-5-methyl-pyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[(2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2-ethyl-5-methyl-pyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium Formula: C20H27ClN5O2S+ MolecularWeight: 436.97868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC

Isomeric SMILES

CCN1C(=CC(=N1)C)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC

InChI

InChI=1S/C20H26ClN5O2S/c1-6-26-15(12-13(2)23-26)19(27)25(11-7-10-24(3)4)20-22-17-16(28-5)9-8-14(21)18(17)29-20/h8-9,12H,6-7,10-11H2,1-5H3/p+1