2-phenanthridin-6-ylsulfanyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-phenanthridin-6-ylsulfanyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-phenanthridin-6-ylsulfanyl-ethanone CAS Name: 2-(6-phenanthridinylthio)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-phenanthridin-6-ylsulfanylethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(phenanthridin-6-ylthio)ethanone Formula: C26H26N3OS+ MolecularWeight: 428.56914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C26H25N3OS/c30-25(29-16-14-28(15-17-29)18-20-8-2-1-3-9-20)19-31-26-23-12-5-4-10-21(23)22-11-6-7-13-24(22)27-26/h1-13H,14-19H2/p+1