10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]-2-methyl-phenothiazine iodide

Systemtic Name: 10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]-2-methyl-phenothiazine iodide Openeye Name: 10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]-2-methyl-phenothiazine iodide CAS Name: 10-[3-(4,4-dimethyl-1-piperazin-4-iumyl)propyl]-2-methylphenothiazine iodide IUPAC Name: 10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]-2-methylphenothiazine iodide Traditional Name: 10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]-2-methyl-phenothiazine iodide Formula: C22H30IN3S MolecularWeight: 495.46317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CC[N+](CC4)(C)C.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CC[N+](CC4)(C)C.[I-]

InChI

InChI=1S/C22H30N3S.HI/c1-18-9-10-22-20(17-18)24(19-7-4-5-8-21(19)26-22)12-6-11-23-13-15-25(2,3)16-14-23;/h4-5,7-10,17H,6,11-16H2,1-3H3;1H/q+1;/p-1