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

Systemtic Name: 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(2-ethyl-5-methyl-pyrazol-3-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(2-ethyl-5-methyl-pyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[(2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(2-ethyl-5-methyl-pyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium Formula: C21H30N5OS+ MolecularWeight: 400.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=CC(=C3C)C

Isomeric SMILES

CCN1C(=CC(=N1)C)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=CC(=C3C)C

InChI

InChI=1S/C21H29N5OS/c1-7-26-17(13-15(3)23-26)20(27)25(12-8-11-24(5)6)21-22-19-16(4)14(2)9-10-18(19)28-21/h9-10,13H,7-8,11-12H2,1-6H3/p+1