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

Systemtic Name: (2S)-1,3-bis[(4-methoxyphenyl)methyl]-2-naphthalen-1-yl-1,3-diazinan-1-ium Openeye Name: (2S)-1,3-bis[(4-methoxyphenyl)methyl]-2-(1-naphthyl)hexahydropyrimidin-1-ium CAS Name: (2S)-1,3-bis[(4-methoxyphenyl)methyl]-2-(1-naphthalenyl)-1,3-diazinan-1-ium IUPAC Name: (2S)-1,3-bis[(4-methoxyphenyl)methyl]-2-naphthalen-1-yl-1,3-diazinan-1-ium Traditional Name: (2S)-2-(1-naphthyl)-1,3-bis(p-anisyl)hexahydropyrimidin-1-ium Formula: C30H33N2O2+ MolecularWeight: 453.59522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(C2C3=CC=CC4=CC=CC=C43)CC5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN([C@@H]2C3=CC=CC4=CC=CC=C43)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C30H32N2O2/c1-33-26-15-11-23(12-16-26)21-31-19-6-20-32(22-24-13-17-27(34-2)18-14-24)30(31)29-10-5-8-25-7-3-4-9-28(25)29/h3-5,7-18,30H,6,19-22H2,1-2H3/p+1