(4R,5S)-1,1-dimethyl-5-naphthalen-2-yl-4-phenyl-1,3-diazinan-1-ium chloride

Systemtic Name: (4R,5S)-1,1-dimethyl-5-naphthalen-2-yl-4-phenyl-1,3-diazinan-1-ium chloride Openeye Name: (4R,5S)-1,1-dimethyl-5-(2-naphthyl)-4-phenyl-hexahydropyrimidin-1-ium chloride CAS Name: (4R,5S)-1,1-dimethyl-5-(2-naphthalenyl)-4-phenyl-1,3-diazinan-1-ium chloride IUPAC Name: (4R,5S)-1,1-dimethyl-5-naphthalen-2-yl-4-phenyl-1,3-diazinan-1-ium chloride Traditional Name: (4R,5S)-1,1-dimethyl-5-(2-naphthyl)-4-phenyl-hexahydropyrimidin-1-ium chloride Formula: C22H25ClN2 MolecularWeight: 352.9003

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(C(NC1)C2=CC=CC=C2)C3=CC4=CC=CC=C4C=C3)C.[Cl-]

Isomeric SMILES

C[N+]1(C[C@@H]([C@@H](NC1)C2=CC=CC=C2)C3=CC4=CC=CC=C4C=C3)C.[Cl-]

InChI

InChI=1S/C22H25N2.ClH/c1-24(2)15-21(22(23-16-24)18-9-4-3-5-10-18)20-13-12-17-8-6-7-11-19(17)14-20;/h3-14,21-23H,15-16H2,1-2H3;1H/q+1;/p-1/t21-,22+;/m1./s1