2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethenyl]-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethenyl]-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)vinyl]-1H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[1-[2-(1-piperazine-1,4-diiumyl)ethylamino]ethenyl]-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethenyl]-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)vinyl]-3-pyrazolin-3-one Formula: C24H28N6OS+2 MolecularWeight: 448.58372

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)NCC[NH+]5CC[NH2+]CC5

Isomeric SMILES

C=C(C1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)NCC[NH+]5CC[NH2+]CC5

InChI

InChI=1S/C24H26N6OS/c1-17(26-13-16-29-14-11-25-12-15-29)21-22(18-7-3-2-4-8-18)28-30(23(21)31)24-27-19-9-5-6-10-20(19)32-24/h2-10,25-26,28H,1,11-16H2/p+2