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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Formula: C22H22N5OS+ MolecularWeight: 404.50798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N5OS/c28-22(17-14-23-27(15-17)18-6-2-1-3-7-18)26-12-10-25(11-13-26)16-21-24-19-8-4-5-9-20(19)29-21/h1-9,14-15H,10-13,16H2/p+1