2-methyl-6,7-diphenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride

Systemtic Name: 2-methyl-6,7-diphenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Openeye Name: 2-methyl-6,7-diphenyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride CAS Name: 2-methyl-6,7-diphenyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride IUPAC Name: 2-methyl-6,7-diphenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Traditional Name: 2-methyl-6,7-diphenyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Formula: C24H25ClN4 MolecularWeight: 404.9351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCCCC3)[NH2+]C(=C2C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCCCC3)[NH2+]C(=C2C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C24H24N4.ClH/c1-17-25-22-20(18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)27-23(22)24(26-17)28-15-9-4-10-16-28;/h2-3,5-8,11-14,27H,4,9-10,15-16H2,1H3;1H