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

Systemtic Name: 2-methyl-6-pentyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Openeye Name: 2-methyl-6-pentyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride CAS Name: 2-methyl-6-pentyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride IUPAC Name: 2-methyl-6-pentyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Traditional Name: 6-amyl-2-methyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Formula: C17H27ClN4 MolecularWeight: 322.87608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C([NH2+]1)C(=NC(=N2)C)N3CCCCC3.[Cl-]

Isomeric SMILES

CCCCCC1=CC2=C([NH2+]1)C(=NC(=N2)C)N3CCCCC3.[Cl-]

InChI

InChI=1S/C17H26N4.ClH/c1-3-4-6-9-14-12-15-16(20-14)17(19-13(2)18-15)21-10-7-5-8-11-21;/h12,20H,3-11H2,1-2H3;1H