(1,3-dimethylpyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]azanium

Systemtic Name: (1,3-dimethylpyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]azanium Openeye Name: (1,3-dimethylpyrazol-4-yl)methyl-methyl-[2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl]ammonium CAS Name: (1,3-dimethyl-4-pyrazolyl)methyl-methyl-[2-oxo-2-[(4-phenyl-2-thiazolyl)amino]ethyl]ammonium IUPAC Name: (1,3-dimethylpyrazol-4-yl)methyl-methyl-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]azanium Traditional Name: (1,3-dimethylpyrazol-4-yl)methyl-[2-keto-2-[(4-phenylthiazol-2-yl)amino]ethyl]-methyl-ammonium Formula: C18H22N5OS+ MolecularWeight: 356.46518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+](C)CC(=O)NC2=NC(=CS2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C=C1C[NH+](C)CC(=O)NC2=NC(=CS2)C3=CC=CC=C3)C

InChI

InChI=1S/C18H21N5OS/c1-13-15(10-23(3)21-13)9-22(2)11-17(24)20-18-19-16(12-25-18)14-7-5-4-6-8-14/h4-8,10,12H,9,11H2,1-3H3,(H,19,20,24)/p+1