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

Systemtic Name: 4-(azepan-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Openeye Name: 4-(azepan-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride CAS Name: 4-(1-azepanyl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride IUPAC Name: 4-(azepan-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Traditional Name: 4-(azepan-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Formula: C19H23ClN4 MolecularWeight: 342.86572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCCCCC3)[NH2+]C(=C2)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCCCCC3)[NH2+]C(=C2)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C19H22N4.ClH/c1-14-20-17-13-16(15-9-5-4-6-10-15)22-18(17)19(21-14)23-11-7-2-3-8-12-23;/h4-6,9-10,13,22H,2-3,7-8,11-12H2,1H3;1H