N2,N4,1,6-tetramethyl-N4-(3-phenoxypropyl)pyrimidin-1-ium-2,4-diamine chloride

Systemtic Name: N2,N4,1,6-tetramethyl-N4-(3-phenoxypropyl)pyrimidin-1-ium-2,4-diamine chloride Openeye Name: N2,N4,1,6-tetramethyl-N4-(3-phenoxypropyl)pyrimidin-1-ium-2,4-diamine chloride CAS Name: N2,N4,1,6-tetramethyl-N4-(3-phenoxypropyl)pyrimidin-1-ium-2,4-diamine chloride IUPAC Name: 2-N,4-N,1,6-tetramethyl-4-N-(3-phenoxypropyl)pyrimidin-1-ium-2,4-diamine chloride Traditional Name: [1,6-dimethyl-2-(methylamino)pyrimidin-1-ium-4-yl]-methyl-(3-phenoxypropyl)amine chloride Formula: C17H25ClN4O MolecularWeight: 336.8596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=[N+]1C)NC)N(C)CCCOC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1=CC(=NC(=[N+]1C)NC)N(C)CCCOC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C17H24N4O.ClH/c1-14-13-16(19-17(18-2)21(14)4)20(3)11-8-12-22-15-9-6-5-7-10-15;/h5-7,9-10,13H,8,11-12H2,1-4H3;1H