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

Systemtic Name: 2-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-yl)-3,4-dihydro-1H-isoquinoline chloride Openeye Name: 2-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-yl)-3,4-dihydro-1H-isoquinoline chloride CAS Name: 2-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-yl)-3,4-dihydro-1H-isoquinoline chloride IUPAC Name: 2-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-yl)-3,4-dihydro-1H-isoquinoline chloride Traditional Name: 2-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-yl)-3,4-dihydro-1H-isoquinoline chloride Formula: C22H21ClN4 MolecularWeight: 376.88194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCC4=CC=CC=C4C3)[NH2+]C(=C2)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCC4=CC=CC=C4C3)[NH2+]C(=C2)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C22H20N4.ClH/c1-15-23-20-13-19(17-8-3-2-4-9-17)25-21(20)22(24-15)26-12-11-16-7-5-6-10-18(16)14-26;/h2-10,13,25H,11-12,14H2,1H3;1H