2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-phenothiazin-10-yl-ethanone

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-phenothiazin-10-yl-ethanone Formula: C25H26N3O2S+ MolecularWeight: 432.55784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C25H25N3O2S/c1-30-20-12-10-19(11-13-20)27-16-14-26(15-17-27)18-25(29)28-21-6-2-4-8-23(21)31-24-9-5-3-7-22(24)28/h2-13H,14-18H2,1H3/p+1