N-(2-ethylheptyl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-amine chloride

Systemtic Name: N-(2-ethylheptyl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-amine chloride Openeye Name: N-(2-ethylheptyl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-amine chloride CAS Name: N-(2-ethylheptyl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-amine chloride IUPAC Name: N-(2-ethylheptyl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-amine chloride Traditional Name: 2-ethylheptyl-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-yl)amine chloride Formula: C22H31ClN4 MolecularWeight: 386.96134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)CNC1=NC(=NC2=C1[NH2+]C(=C2)C3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

CCCCCC(CC)CNC1=NC(=NC2=C1[NH2+]C(=C2)C3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C22H30N4.ClH/c1-4-6-8-11-17(5-2)15-23-22-21-20(24-16(3)25-22)14-19(26-21)18-12-9-7-10-13-18;/h7,9-10,12-14,17,26H,4-6,8,11,15H2,1-3H3,(H,23,24,25);1H