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

Systemtic Name: 1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-yl)piperidin-4-ol chloride Openeye Name: 1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-yl)piperidin-4-ol chloride CAS Name: 1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-yl)-4-piperidinol chloride IUPAC Name: 1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-yl)piperidin-4-ol chloride Traditional Name: 1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-yl)piperidin-4-ol chloride Formula: C18H21ClN4O MolecularWeight: 344.83854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCC(CC3)O)[NH2+]C(=C2)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCC(CC3)O)[NH2+]C(=C2)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C18H20N4O.ClH/c1-12-19-16-11-15(13-5-3-2-4-6-13)21-17(16)18(20-12)22-9-7-14(23)8-10-22;/h2-6,11,14,21,23H,7-10H2,1H3;1H