10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]phenothiazine iodide

Systemtic Name: 10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]phenothiazine iodide Openeye Name: 10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]phenothiazine iodide CAS Name: 10-[3-(4,4-dimethyl-1-piperazin-4-iumyl)propyl]phenothiazine iodide IUPAC Name: 10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]phenothiazine iodide Traditional Name: 10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]phenothiazine iodide Formula: C21H28IN3S MolecularWeight: 481.43659

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42)C.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42)C.[I-]

InChI

InChI=1S/C21H28N3S.HI/c1-24(2)16-14-22(15-17-24)12-7-13-23-18-8-3-5-10-20(18)25-21-11-6-4-9-19(21)23;/h3-6,8-11H,7,12-17H2,1-2H3;1H/q+1;/p-1