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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]-methyl-ammonium Formula: C20H21N4OS+ MolecularWeight: 365.47194

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4OS/c1-23(13-19-21-17-9-5-6-10-18(17)26-19)14-20(25)24-12-11-16(22-24)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3/p+1