[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(3,5-dimethyl-1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone Formula: C24H26N5OS+ MolecularWeight: 432.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H25N5OS/c1-17-23(18(2)29(26-17)19-8-4-3-5-9-19)24(30)28-14-12-27(13-15-28)16-22-25-20-10-6-7-11-21(20)31-22/h3-11H,12-16H2,1-2H3/p+1