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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)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=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

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