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

Systemtic Name: 3-[(6-chloranyl-1,3-benzothiazol-2-yl)-(2,5-dimethylpyrazol-3-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(2,5-dimethylpyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(2,5-dimethylpyrazole-3-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(2,5-dimethylpyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium Formula: C18H23ClN5OS+ MolecularWeight: 392.92612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN5OS/c1-12-10-15(23(4)21-12)17(25)24(9-5-8-22(2)3)18-20-14-7-6-13(19)11-16(14)26-18/h6-7,10-11H,5,8-9H2,1-4H3/p+1