(2R)-2-(4,5-dimethoxy-2-nitro-phenyl)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium

Systemtic Name: (2R)-2-(4,5-dimethoxy-2-nitro-phenyl)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium Openeye Name: (2R)-1,3-dibenzyl-2-(4,5-dimethoxy-2-nitro-phenyl)hexahydropyrimidin-1-ium CAS Name: (2R)-2-(4,5-dimethoxy-2-nitrophenyl)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium IUPAC Name: (2R)-1,3-dibenzyl-2-(4,5-dimethoxy-2-nitrophenyl)-1,3-diazinan-1-ium Traditional Name: (2R)-1,3-dibenzyl-2-(4,5-dimethoxy-2-nitro-phenyl)hexahydropyrimidin-1-ium Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2[NH+](CCCN2CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)[C@H]2[NH+](CCCN2CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C26H29N3O4/c1-32-24-16-22(23(29(30)31)17-25(24)33-2)26-27(18-20-10-5-3-6-11-20)14-9-15-28(26)19-21-12-7-4-8-13-21/h3-8,10-13,16-17,26H,9,14-15,18-19H2,1-2H3/p+1