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

Systemtic Name: 6-phenyl-2,4-di(piperidin-1-yl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Openeye Name: 6-phenyl-2,4-bis(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride CAS Name: 6-phenyl-2,4-bis(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride IUPAC Name: 6-phenyl-2,4-di(piperidin-1-yl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Traditional Name: 6-phenyl-2,4-dipiperidino-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Formula: C22H28ClN5 MolecularWeight: 397.94422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC3=C2[NH2+]C(=C3)C4=CC=CC=C4)N5CCCCC5.[Cl-]

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC3=C2[NH2+]C(=C3)C4=CC=CC=C4)N5CCCCC5.[Cl-]

InChI

InChI=1S/C22H27N5.ClH/c1-4-10-17(11-5-1)18-16-19-20(23-18)21(26-12-6-2-7-13-26)25-22(24-19)27-14-8-3-9-15-27;/h1,4-5,10-11,16,23H,2-3,6-9,12-15H2;1H