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

Systemtic Name: N-(3-ethoxypropyl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-amine chloride Openeye Name: N-(3-ethoxypropyl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-amine chloride CAS Name: N-(3-ethoxypropyl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-amine chloride IUPAC Name: N-(3-ethoxypropyl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-amine chloride Traditional Name: 3-ethoxypropyl-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-yl)amine chloride Formula: C18H23ClN4O MolecularWeight: 346.85442

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NC(=NC2=C1[NH2+]C(=C2)C3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

CCOCCCNC1=NC(=NC2=C1[NH2+]C(=C2)C3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C18H22N4O.ClH/c1-3-23-11-7-10-19-18-17-16(20-13(2)21-18)12-15(22-17)14-8-5-4-6-9-14;/h4-6,8-9,12,22H,3,7,10-11H2,1-2H3,(H,19,20,21);1H