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

Systemtic Name: 6-(1-adamantyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Openeye Name: 6-(1-adamantyl)-2-methyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride CAS Name: 6-(1-adamantyl)-2-methyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride IUPAC Name: 6-(1-adamantyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Traditional Name: 6-(1-adamantyl)-2-methyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Formula: C22H31ClN4 MolecularWeight: 386.96134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCCCC3)[NH2+]C(=C2)C45CC6CC(C4)CC(C6)C5.[Cl-]

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCCCC3)[NH2+]C(=C2)C45CC6CC(C4)CC(C6)C5.[Cl-]

InChI

InChI=1S/C22H30N4.ClH/c1-14-23-18-10-19(22-11-15-7-16(12-22)9-17(8-15)13-22)25-20(18)21(24-14)26-5-3-2-4-6-26;/h10,15-17,25H,2-9,11-13H2,1H3;1H