10-[2-(1,1-dimethylpiperidin-1-ium-2-yl)ethyl]phenothiazine bromide

Systemtic Name: 10-[2-(1,1-dimethylpiperidin-1-ium-2-yl)ethyl]phenothiazine bromide Openeye Name: 10-[2-(1,1-dimethylpiperidin-1-ium-2-yl)ethyl]phenothiazine bromide CAS Name: 10-[2-(1,1-dimethyl-2-piperidin-1-iumyl)ethyl]phenothiazine bromide IUPAC Name: 10-[2-(1,1-dimethylpiperidin-1-ium-2-yl)ethyl]phenothiazine bromide Traditional Name: 10-[2-(1,1-dimethylpiperidin-1-ium-2-yl)ethyl]phenothiazine bromide Formula: C21H27BrN2S MolecularWeight: 419.42148

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1CCN2C3=CC=CC=C3SC4=CC=CC=C42)C.[Br-]

Isomeric SMILES

C[N+]1(CCCCC1CCN2C3=CC=CC=C3SC4=CC=CC=C42)C.[Br-]

InChI

InChI=1S/C21H27N2S.BrH/c1-23(2)16-8-7-9-17(23)14-15-22-18-10-3-5-12-20(18)24-21-13-6-4-11-19(21)22;/h3-6,10-13,17H,7-9,14-16H2,1-2H3;1H/q+1;/p-1