2-(1,3-benzodioxol-5-yl)-1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium Openeye Name: 2-(1,3-benzodioxol-5-yl)-1,3-dibenzyl-hexahydropyrimidine-1,3-diium CAS Name: 2-(1,3-benzodioxol-5-yl)-1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1,3-dibenzyl-1,3-diazinane-1,3-diium Traditional Name: 2-(1,3-benzodioxol-5-yl)-1,3-dibenzyl-hexahydropyrimidine-1,3-diium Formula: C25H28N2O2+2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C([NH+](C1)CC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](C([NH+](C1)CC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N2O2/c1-3-8-20(9-4-1)17-26-14-7-15-27(18-21-10-5-2-6-11-21)25(26)22-12-13-23-24(16-22)29-19-28-23/h1-6,8-13,16,25H,7,14-15,17-19H2/p+2