1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)amino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-methyl-ammonium Formula: C17H22N5OS+ MolecularWeight: 344.45448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H21N5OS/c1-11-17(12(2)22(4)20-11)19-15(23)9-21(3)10-16-18-13-7-5-6-8-14(13)24-16/h5-8H,9-10H2,1-4H3,(H,19,23)/p+1