1-phenothiazin-10-yl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-phenothiazin-10-yl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-phenothiazin-10-yl-ethanone CAS Name: 1-(10-phenothiazinyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-phenothiazin-10-ylethanone Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-phenothiazin-10-yl-ethanone Formula: C25H27N3OS+2 MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C25H25N3OS/c29-25(19-27-16-14-26(15-17-27)18-20-8-2-1-3-9-20)28-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)28/h1-13H,14-19H2/p+2