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

Systemtic Name: (2S)-2-(2-bromophenyl)-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-1-ium Openeye Name: (2S)-2-(2-bromophenyl)-1,3-bis[(4-methoxyphenyl)methyl]hexahydropyrimidin-1-ium CAS Name: (2S)-2-(2-bromophenyl)-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-1-ium IUPAC Name: (2S)-2-(2-bromophenyl)-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-1-ium Traditional Name: (2S)-2-(2-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=CC=C3Br)CC4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN([C@@H]2C3=CC=CC=C3Br)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H29BrN2O2/c1-30-22-12-8-20(9-13-22)18-28-16-5-17-29(19-21-10-14-23(31-2)15-11-21)26(28)24-6-3-4-7-25(24)27/h3-4,6-15,26H,5,16-19H2,1-2H3/p+1