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

Systemtic Name: 3-[1,3-benzothiazol-2-yl-(2,5-dimethylpyrazol-3-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-(2,5-dimethylpyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-(2,5-dimethylpyrazole-3-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-(2,5-dimethylpyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium Formula: C18H24N5OS+ MolecularWeight: 358.48106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5OS/c1-13-12-15(22(4)20-13)17(24)23(11-7-10-21(2)3)18-19-14-8-5-6-9-16(14)25-18/h5-6,8-9,12H,7,10-11H2,1-4H3/p+1