4-[1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium-2-yl]-N,N-dimethyl-2-nitro-aniline

Systemtic Name: 4-[1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium-2-yl]-N,N-dimethyl-2-nitro-aniline Openeye Name: 4-(1,3-dibenzylhexahydropyrimidine-1,3-diium-2-yl)-N,N-dimethyl-2-nitro-aniline CAS Name: 4-[1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium-2-yl]-N,N-dimethyl-2-nitroaniline IUPAC Name: 4-(1,3-dibenzyl-1,3-diazinane-1,3-diium-2-yl)-N,N-dimethyl-2-nitroaniline Traditional Name: [4-(1,3-dibenzylhexahydropyrimidine-1,3-diium-2-yl)-2-nitro-phenyl]-dimethyl-amine Formula: C26H32N4O2+2 MolecularWeight: 432.55788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O2/c1-27(2)24-15-14-23(18-25(24)30(31)32)26-28(19-21-10-5-3-6-11-21)16-9-17-29(26)20-22-12-7-4-8-13-22/h3-8,10-15,18,26H,9,16-17,19-20H2,1-2H3/p+2