2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethylidene]pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethylidene]pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethylidene]pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-[2-(1-piperazine-1,4-diiumyl)ethylamino]ethylidene]-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethylidene]pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethylidene]-2-pyrazolin-3-one Formula: C19H26N6OS+2 MolecularWeight: 386.51434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCC[NH+]2CC[NH2+]CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)NCC[NH+]2CC[NH2+]CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H24N6OS/c1-13(21-9-12-24-10-7-20-8-11-24)17-14(2)23-25(18(17)26)19-22-15-5-3-4-6-16(15)27-19/h3-6,20-21H,7-12H2,1-2H3/p+2