10-[2-(5-ethyl-1,1-dimethyl-piperidin-1-ium-2-yl)ethyl]phenothiazine iodide

Systemtic Name: 10-[2-(5-ethyl-1,1-dimethyl-piperidin-1-ium-2-yl)ethyl]phenothiazine iodide Openeye Name: 10-[2-(5-ethyl-1,1-dimethyl-piperidin-1-ium-2-yl)ethyl]phenothiazine iodide CAS Name: 10-[2-(5-ethyl-1,1-dimethyl-2-piperidin-1-iumyl)ethyl]phenothiazine iodide IUPAC Name: 10-[2-(5-ethyl-1,1-dimethylpiperidin-1-ium-2-yl)ethyl]phenothiazine iodide Traditional Name: 10-[2-(5-ethyl-1,1-dimethyl-piperidin-1-ium-2-yl)ethyl]phenothiazine iodide Formula: C23H31IN2S MolecularWeight: 494.47511

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC([N+](C1)(C)C)CCN2C3=CC=CC=C3SC4=CC=CC=C42.[I-]

Isomeric SMILES

CCC1CCC([N+](C1)(C)C)CCN2C3=CC=CC=C3SC4=CC=CC=C42.[I-]

InChI

InChI=1S/C23H31N2S.HI/c1-4-18-13-14-19(25(2,3)17-18)15-16-24-20-9-5-7-11-22(20)26-23-12-8-6-10-21(23)24;/h5-12,18-19H,4,13-17H2,1-3H3;1H/q+1;/p-1