2-(azepan-1-ium-1-yl)-1-(2-methylsulfanylphenothiazin-10-yl)ethanone

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-(2-methylsulfanylphenothiazin-10-yl)ethanone Openeye Name: 2-(azepan-1-ium-1-yl)-1-(2-methylsulfanylphenothiazin-10-yl)ethanone CAS Name: 2-(1-azepan-1-iumyl)-1-[2-(methylthio)-10-phenothiazinyl]ethanone IUPAC Name: 2-(azepan-1-ium-1-yl)-1-(2-methylsulfanylphenothiazin-10-yl)ethanone Traditional Name: 2-(azepan-1-ium-1-yl)-1-[2-(methylthio)phenothiazin-10-yl]ethanone Formula: C21H25N2OS2+ MolecularWeight: 385.566

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)C[NH+]4CCCCCC4

Isomeric SMILES

CSC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)C[NH+]4CCCCCC4

InChI

InChI=1S/C21H24N2OS2/c1-25-16-10-11-20-18(14-16)23(17-8-4-5-9-19(17)26-20)21(24)15-22-12-6-2-3-7-13-22/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3/p+1