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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[4-(5-methyl-1-pyrazolyl)phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone Formula: C23H24N5OS+ MolecularWeight: 418.53456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5OS/c1-17-10-11-24-28(17)19-8-6-18(7-9-19)23(29)27-14-12-26(13-15-27)16-22-25-20-4-2-3-5-21(20)30-22/h2-11H,12-16H2,1H3/p+1