4-[(2R)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium-2-yl]-2-ethoxy-phenol

Systemtic Name: 4-[(2R)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium-2-yl]-2-ethoxy-phenol Openeye Name: 4-[(2R)-1,3-dibenzylhexahydropyrimidin-1-ium-2-yl]-2-ethoxy-phenol CAS Name: 4-[(2R)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium-2-yl]-2-ethoxyphenol IUPAC Name: 4-[(2R)-1,3-dibenzyl-1,3-diazinan-1-ium-2-yl]-2-ethoxyphenol Traditional Name: 4-[(2R)-1,3-dibenzylhexahydropyrimidin-1-ium-2-yl]-2-ethoxy-phenol Formula: C26H31N2O2+ MolecularWeight: 403.53654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2[NH+](CCCN2CC3=CC=CC=C3)CC4=CC=CC=C4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2[NH+](CCCN2CC3=CC=CC=C3)CC4=CC=CC=C4)O

InChI

InChI=1S/C26H30N2O2/c1-2-30-25-18-23(14-15-24(25)29)26-27(19-21-10-5-3-6-11-21)16-9-17-28(26)20-22-12-7-4-8-13-22/h3-8,10-15,18,26,29H,2,9,16-17,19-20H2,1H3/p+1