2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(2-methylsulfanylphenothiazin-10-yl)ethanone

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(2-methylsulfanylphenothiazin-10-yl)ethanone Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(2-methylsulfanylphenothiazin-10-yl)ethanone CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-[2-(methylthio)-10-phenothiazinyl]ethanone IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(2-methylsulfanylphenothiazin-10-yl)ethanone Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-[2-(methylthio)phenothiazin-10-yl]ethanone Formula: C27H30N3OS2+ MolecularWeight: 476.6766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)SC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)SC)C

InChI

InChI=1S/C27H29N3OS2/c1-19-7-6-9-22(20(19)2)29-15-13-28(14-16-29)18-27(31)30-23-8-4-5-10-25(23)33-26-12-11-21(32-3)17-24(26)30/h4-12,17H,13-16,18H2,1-3H3/p+1