3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2,5-dimethylpyrazol-3-yl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2,5-dimethylpyrazol-3-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2,5-dimethylpyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2,5-dimethylpyrazole-3-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2,5-dimethylpyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)OC)OC)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)OC)OC)C

InChI

InChI=1S/C20H27N5O3S/c1-13-12-14(24(4)22-13)19(26)25(11-7-10-23(2)3)20-21-17-15(27-5)8-9-16(28-6)18(17)29-20/h8-9,12H,7,10-11H2,1-6H3/p+1