2-(3-nitrophenyl)-1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium

Systemtic Name: 2-(3-nitrophenyl)-1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium Openeye Name: 1,3-dibenzyl-2-(3-nitrophenyl)hexahydropyrimidine-1,3-diium CAS Name: 2-(3-nitrophenyl)-1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium IUPAC Name: 1,3-dibenzyl-2-(3-nitrophenyl)-1,3-diazinane-1,3-diium Traditional Name: 1,3-dibenzyl-2-(3-nitrophenyl)hexahydropyrimidine-1,3-diium Formula: C24H27N3O2+2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C([NH+](C1)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C([NH+](C1)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2/c28-27(29)23-14-7-13-22(17-23)24-25(18-20-9-3-1-4-10-20)15-8-16-26(24)19-21-11-5-2-6-12-21/h1-7,9-14,17,24H,8,15-16,18-19H2/p+2