10-[2-(1-methyl-1-oxidanidyl-piperidin-1-ium-2-yl)ethyl]-2-methylsulfanyl-phenothiazine

Systemtic Name: 10-[2-(1-methyl-1-oxidanidyl-piperidin-1-ium-2-yl)ethyl]-2-methylsulfanyl-phenothiazine Openeye Name: 10-[2-(1-methyl-1-oxido-piperidin-1-ium-2-yl)ethyl]-2-methylsulfanyl-phenothiazine CAS Name: 10-[2-(1-methyl-1-oxido-2-piperidin-1-iumyl)ethyl]-2-(methylthio)phenothiazine IUPAC Name: 10-[2-(1-methyl-1-oxidopiperidin-1-ium-2-yl)ethyl]-2-methylsulfanylphenothiazine Traditional Name: 10-[2-(1-methyl-1-oxido-piperidin-1-ium-2-yl)ethyl]-2-(methylthio)phenothiazine Formula: C21H26N2OS2 MolecularWeight: 386.57394

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC)[O-]

Isomeric SMILES

C[N+]1(CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC)[O-]

InChI

InChI=1S/C21H26N2OS2/c1-23(24)14-6-5-7-16(23)12-13-22-18-8-3-4-9-20(18)26-21-11-10-17(25-2)15-19(21)22/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3