4-[1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium-2-yl]-2-methoxy-phenol

Systemtic Name: 4-[1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium-2-yl]-2-methoxy-phenol Openeye Name: 4-(1,3-dibenzylhexahydropyrimidine-1,3-diium-2-yl)-2-methoxy-phenol CAS Name: 4-[1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium-2-yl]-2-methoxyphenol IUPAC Name: 4-(1,3-dibenzyl-1,3-diazinane-1,3-diium-2-yl)-2-methoxyphenol Traditional Name: 4-(1,3-dibenzylhexahydropyrimidine-1,3-diium-2-yl)-2-methoxy-phenol Formula: C25H30N2O2+2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2[NH+](CCC[NH+]2CC3=CC=CC=C3)CC4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2[NH+](CCC[NH+]2CC3=CC=CC=C3)CC4=CC=CC=C4)O

InChI

InChI=1S/C25H28N2O2/c1-29-24-17-22(13-14-23(24)28)25-26(18-20-9-4-2-5-10-20)15-8-16-27(25)19-21-11-6-3-7-12-21/h2-7,9-14,17,25,28H,8,15-16,18-19H2,1H3/p+2