10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine

Systemtic Name: 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine Openeye Name: 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine CAS Name: 10-[3-[4-[2-(1-pyridin-1-iumyl)ethyl]-1-piperazinyl]propyl]-2-(trifluoromethyl)phenothiazine IUPAC Name: 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine Traditional Name: 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazino]propyl]-2-(trifluoromethyl)phenothiazine Formula: C27H30F3N4S+ MolecularWeight: 499.61411

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CC[N+]5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CC[N+]5=CC=CC=C5

InChI

InChI=1S/C27H30F3N4S/c28-27(29,30)22-9-10-26-24(21-22)34(23-7-2-3-8-25(23)35-26)14-6-13-32-16-19-33(20-17-32)18-15-31-11-4-1-5-12-31/h1-5,7-12,21H,6,13-20H2/q+1