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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methoxy-1-phenyl-pyrazol-3-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methoxy-1-phenyl-pyrazol-3-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(4-methoxy-1-phenyl-3-pyrazolyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methoxy-1-phenylpyrazol-3-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methoxy-1-phenyl-pyrazol-3-yl)methanone Formula: C23H24N5O2S+ MolecularWeight: 434.53396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

COC1=CN(N=C1C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C23H23N5O2S/c1-30-19-15-28(17-7-3-2-4-8-17)25-22(19)23(29)27-13-11-26(12-14-27)16-21-24-18-9-5-6-10-20(18)31-21/h2-10,15H,11-14,16H2,1H3/p+1