1,3-bis[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-diazinane-1,3-diium

Systemtic Name: 1,3-bis[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-diazinane-1,3-diium Openeye Name: 1,3-bis[(4-chlorophenyl)methyl]-2-(3-pyridyl)hexahydropyrimidine-1,3-diium CAS Name: 1,3-bis[(4-chlorophenyl)methyl]-2-(3-pyridinyl)-1,3-diazinane-1,3-diium IUPAC Name: 1,3-bis[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-diazinane-1,3-diium Traditional Name: 1,3-bis(4-chlorobenzyl)-2-(3-pyridyl)hexahydropyrimidine-1,3-diium Formula: C23H25Cl2N3+2 MolecularWeight: 414.3707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C([NH+](C1)CC2=CC=C(C=C2)Cl)C3=CN=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](C([NH+](C1)CC2=CC=C(C=C2)Cl)C3=CN=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23Cl2N3/c24-21-8-4-18(5-9-21)16-27-13-2-14-28(17-19-6-10-22(25)11-7-19)23(27)20-3-1-12-26-15-20/h1,3-12,15,23H,2,13-14,16-17H2/p+2