[2-oxidanylidene-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [2-oxidanylidene-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [2-oxo-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]-(3-pyridylmethyl)ammonium CAS Name: [2-oxo-2-[2-(trifluoromethyl)-10-phenothiazinyl]ethyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [2-oxo-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [2-keto-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]-(3-pyridylmethyl)ammonium Formula: C21H17F3N3OS+ MolecularWeight: 416.43939

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C[NH2+]CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C[NH2+]CC4=CN=CC=C4

InChI

InChI=1S/C21H16F3N3OS/c22-21(23,24)15-7-8-19-17(10-15)27(16-5-1-2-6-18(16)29-19)20(28)13-26-12-14-4-3-9-25-11-14/h1-11,26H,12-13H2/p+1