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

Systemtic Name: 6-butyl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Openeye Name: 6-butyl-2-methyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride CAS Name: 6-butyl-2-methyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride IUPAC Name: 6-butyl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Traditional Name: 6-butyl-2-methyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Formula: C16H25ClN4 MolecularWeight: 308.8495

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C([NH2+]1)C(=NC(=N2)C)N3CCCCC3.[Cl-]

Isomeric SMILES

CCCCC1=CC2=C([NH2+]1)C(=NC(=N2)C)N3CCCCC3.[Cl-]

InChI

InChI=1S/C16H24N4.ClH/c1-3-4-8-13-11-14-15(19-13)16(18-12(2)17-14)20-9-6-5-7-10-20;/h11,19H,3-10H2,1-2H3;1H