3-heptyl-N2,N6,4-trimethyl-N6-phenyl-1,4-dihydropyrimidin-3-ium-2,6-diamine chloride

Systemtic Name: 3-heptyl-N2,N6,4-trimethyl-N6-phenyl-1,4-dihydropyrimidin-3-ium-2,6-diamine chloride Openeye Name: 3-heptyl-N2,N6,4-trimethyl-N6-phenyl-1,4-dihydropyrimidin-3-ium-2,6-diamine chloride CAS Name: 3-heptyl-N2,N6,4-trimethyl-N6-phenyl-1,4-dihydropyrimidin-3-ium-2,6-diamine chloride IUPAC Name: 3-heptyl-2-N,6-N,4-trimethyl-6-N-phenyl-1,4-dihydropyrimidin-3-ium-2,6-diamine chloride Traditional Name: [3-heptyl-4-methyl-2-(methylamino)-1,4-dihydropyrimidin-3-ium-6-yl]-methyl-phenyl-amine chloride Formula: C20H33ClN4 MolecularWeight: 364.95582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(NC(=CC1C)N(C)C2=CC=CC=C2)NC.[Cl-]

Isomeric SMILES

CCCCCCC[N+]1=C(NC(=CC1C)N(C)C2=CC=CC=C2)NC.[Cl-]

InChI

InChI=1S/C20H32N4.ClH/c1-5-6-7-8-12-15-24-17(2)16-19(22-20(24)21-3)23(4)18-13-10-9-11-14-18;/h9-11,13-14,16-17H,5-8,12,15H2,1-4H3,(H,21,22);1H