6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride

Systemtic Name: 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Openeye Name: 6-phenyl-4-(1-piperidyl)-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride CAS Name: 6-phenyl-4-(1-piperidinyl)-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride IUPAC Name: 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Traditional Name: 6-phenyl-4-piperidino-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Formula: C18H18ClF3N4 MolecularWeight: 382.81053

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC3=C2[NH2+]C(=C3)C4=CC=CC=C4)C(F)(F)F.[Cl-]

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC3=C2[NH2+]C(=C3)C4=CC=CC=C4)C(F)(F)F.[Cl-]

InChI

InChI=1S/C18H17F3N4.ClH/c19-18(20,21)17-23-14-11-13(12-7-3-1-4-8-12)22-15(14)16(24-17)25-9-5-2-6-10-25;/h1,3-4,7-8,11,22H,2,5-6,9-10H2;1H