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

Systemtic Name: 6-phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Openeye Name: 6-phenyl-4-(1-piperidyl)-2-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride CAS Name: 6-phenyl-4-(1-piperidinyl)-2-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride IUPAC Name: 6-phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Traditional Name: 6-phenyl-4-piperidino-2-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Formula: C20H25ClN4 MolecularWeight: 356.8923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)N3CCCCC3)[NH2+]C(=C2)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCCC1=NC2=C(C(=N1)N3CCCCC3)[NH2+]C(=C2)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C20H24N4.ClH/c1-2-9-18-21-17-14-16(15-10-5-3-6-11-15)22-19(17)20(23-18)24-12-7-4-8-13-24;/h3,5-6,10-11,14,22H,2,4,7-9,12-13H2,1H3;1H