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

Systemtic Name: 2-methyl-6-(phenoxymethyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Openeye Name: 2-methyl-6-(phenoxymethyl)-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride CAS Name: 2-methyl-6-(phenoxymethyl)-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride IUPAC Name: 2-methyl-6-(phenoxymethyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Traditional Name: 2-methyl-6-(phenoxymethyl)-4-piperidino-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Formula: C19H23ClN4O MolecularWeight: 358.86512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCCCC3)[NH2+]C(=C2)COC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCCCC3)[NH2+]C(=C2)COC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C19H22N4O.ClH/c1-14-20-17-12-15(13-24-16-8-4-2-5-9-16)22-18(17)19(21-14)23-10-6-3-7-11-23;/h2,4-5,8-9,12,22H,3,6-7,10-11,13H2,1H3;1H