3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-methylpyrazol-3-yl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-methylpyrazol-3-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-methylpyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[(2-methyl-3-pyrazolyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-methylpyrazole-3-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-methylpyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium Formula: C19H26N5O3S+ MolecularWeight: 404.50644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)OC)OC

Isomeric SMILES

CN1C(=CC=N1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)OC)OC

InChI

InChI=1S/C19H25N5O3S/c1-22(2)11-6-12-24(18(25)13-9-10-20-23(13)3)19-21-16-14(26-4)7-8-15(27-5)17(16)28-19/h7-10H,6,11-12H2,1-5H3/p+1