phenyl-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: phenyl-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-4-ium-1-yl]methanone Openeye Name: phenyl-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-4-ium-1-yl]methanone CAS Name: phenyl-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazin-4-iumyl]methanone IUPAC Name: phenyl-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-4-ium-1-yl]methanone Traditional Name: phenyl-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-4-ium-1-yl]methanone Formula: C27H27F3N3OS+ MolecularWeight: 498.58299

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H26F3N3OS/c28-27(29,30)21-11-12-25-23(19-21)33(22-9-4-5-10-24(22)35-25)14-6-13-31-15-17-32(18-16-31)26(34)20-7-2-1-3-8-20/h1-5,7-12,19H,6,13-18H2/p+1