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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CN(N=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CN(N=C4)CC5=CC=CC=C5

InChI

InChI=1S/C23H23N5OS/c29-23(19-14-24-28(16-19)15-18-6-2-1-3-7-18)27-12-10-26(11-13-27)17-22-25-20-8-4-5-9-21(20)30-22/h1-9,14,16H,10-13,15,17H2/p+1