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

Systemtic Name: 1-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-yl)piperazin-1-yl]ethanone chloride Openeye Name: 1-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-yl)piperazin-1-yl]ethanone chloride CAS Name: 1-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-yl)-1-piperazinyl]ethanone chloride IUPAC Name: 1-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-yl)piperazin-1-yl]ethanone chloride Traditional Name: 1-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-yl)piperazino]ethanone chloride Formula: C19H22ClN5O MolecularWeight: 371.86388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCN(CC3)C(=O)C)[NH2+]C(=C2)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCN(CC3)C(=O)C)[NH2+]C(=C2)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C19H21N5O.ClH/c1-13-20-17-12-16(15-6-4-3-5-7-15)22-18(17)19(21-13)24-10-8-23(9-11-24)14(2)25;/h3-7,12,22H,8-11H2,1-2H3;1H