1,3-bis(phenylmethyl)-2-(4-propan-2-ylphenyl)-1,3-diazinane-1,3-diium

Systemtic Name: 1,3-bis(phenylmethyl)-2-(4-propan-2-ylphenyl)-1,3-diazinane-1,3-diium Openeye Name: 1,3-dibenzyl-2-(4-isopropylphenyl)hexahydropyrimidine-1,3-diium CAS Name: 1,3-bis(phenylmethyl)-2-(4-propan-2-ylphenyl)-1,3-diazinane-1,3-diium IUPAC Name: 1,3-dibenzyl-2-(4-propan-2-ylphenyl)-1,3-diazinane-1,3-diium Traditional Name: 1,3-dibenzyl-2-p-cumenyl-hexahydropyrimidine-1,3-diium Formula: C27H34N2+2 MolecularWeight: 386.57226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2/c1-22(2)25-14-16-26(17-15-25)27-28(20-23-10-5-3-6-11-23)18-9-19-29(27)21-24-12-7-4-8-13-24/h3-8,10-17,22,27H,9,18-21H2,1-2H3/p+2