10-[[(3S)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl]methyl]phenothiazine iodide

Systemtic Name: 10-[[(3S)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl]methyl]phenothiazine iodide Openeye Name: 10-[[(3S)-1-methylquinuclidin-1-ium-3-yl]methyl]phenothiazine iodide CAS Name: 10-[[(3S)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl]methyl]phenothiazine iodide IUPAC Name: 10-[[(3S)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl]methyl]phenothiazine iodide Traditional Name: 10-[[(3S)-1-methylquinuclidin-1-ium-3-yl]methyl]phenothiazine iodide Formula: C21H25IN2S MolecularWeight: 464.40607

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)CN3C4=CC=CC=C4SC5=CC=CC=C53.[I-]

Isomeric SMILES

C[N+]12CCC(CC1)[C@H](C2)CN3C4=CC=CC=C4SC5=CC=CC=C53.[I-]

InChI

InChI=1S/C21H25N2S.HI/c1-23-12-10-16(11-13-23)17(15-23)14-22-18-6-2-4-8-20(18)24-21-9-5-3-7-19(21)22;/h2-9,16-17H,10-15H2,1H3;1H/q+1;/p-1/t16?,17-,23?;/m0./s1