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

Systemtic Name: (2S)-1,3-bis[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)-1,3-diazinan-1-ium Openeye Name: (2S)-2-(4-isopropylphenyl)-1,3-bis[(4-methoxyphenyl)methyl]hexahydropyrimidin-1-ium CAS Name: (2S)-1,3-bis[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)-1,3-diazinan-1-ium IUPAC Name: (2S)-1,3-bis[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)-1,3-diazinan-1-ium Traditional Name: (2S)-1,3-bis(p-anisyl)-2-p-cumenyl-hexahydropyrimidin-1-ium Formula: C29H37N2O2+ MolecularWeight: 445.61628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O2/c1-22(2)25-10-12-26(13-11-25)29-30(20-23-6-14-27(32-3)15-7-23)18-5-19-31(29)21-24-8-16-28(33-4)17-9-24/h6-17,22,29H,5,18-21H2,1-4H3/p+1