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

Systemtic Name: 2-(2-methylpropyl)-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Openeye Name: 2-isobutyl-6-phenyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride CAS Name: 2-(2-methylpropyl)-6-phenyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride IUPAC Name: 2-(2-methylpropyl)-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Traditional Name: 2-isobutyl-6-phenyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Formula: C21H27ClN4 MolecularWeight: 370.91888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4.ClH/c1-15(2)13-19-22-18-14-17(16-9-5-3-6-10-16)23-20(18)21(24-19)25-11-7-4-8-12-25;/h3,5-6,9-10,14-15,23H,4,7-8,11-13H2,1-2H3;1H