1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(5-phenyl-2-furyl)propan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-(5-phenyl-2-furanyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(5-phenyl-2-furyl)propan-1-one Formula: C25H26N3O2S+ MolecularWeight: 432.55784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCC4=CC=C(O4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCC4=CC=C(O4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N3O2S/c29-25(13-11-20-10-12-22(30-20)19-6-2-1-3-7-19)28-16-14-27(15-17-28)18-24-26-21-8-4-5-9-23(21)31-24/h1-10,12H,11,13-18H2/p+1