1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-indan-5-yl-butane-1,4-dione CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-indan-5-yl-butane-1,4-dione Formula: C25H28N3O2S+ MolecularWeight: 434.57372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H27N3O2S/c29-22(20-9-8-18-4-3-5-19(18)16-20)10-11-25(30)28-14-12-27(13-15-28)17-24-26-21-6-1-2-7-23(21)31-24/h1-2,6-9,16H,3-5,10-15,17H2/p+1