(2S)-2-(4-bromophenyl)-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-1-ium

Systemtic Name: (2S)-2-(4-bromophenyl)-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-1-ium Openeye Name: (2S)-2-(4-bromophenyl)-1,3-bis[(4-methoxyphenyl)methyl]hexahydropyrimidin-1-ium CAS Name: (2S)-2-(4-bromophenyl)-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-1-ium IUPAC Name: (2S)-2-(4-bromophenyl)-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-1-ium Traditional Name: (2S)-2-(4-bromophenyl)-1,3-bis(p-anisyl)hexahydropyrimidin-1-ium Formula: C26H30BrN2O2+ MolecularWeight: 482.4326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(C2C3=CC=C(C=C3)Br)CC4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN([C@@H]2C3=CC=C(C=C3)Br)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H29BrN2O2/c1-30-24-12-4-20(5-13-24)18-28-16-3-17-29(19-21-6-14-25(31-2)15-7-21)26(28)22-8-10-23(27)11-9-22/h4-15,26H,3,16-19H2,1-2H3/p+1