N-[(3-nitrophenyl)methyl]-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]aniline

Systemtic Name: N-[(3-nitrophenyl)methyl]-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]aniline Openeye Name: N-[(3-nitrophenyl)methyl]-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]aniline CAS Name: N-[(3-nitrophenyl)methyl]-3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]aniline IUPAC Name: N-[(3-nitrophenyl)methyl]-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]aniline Traditional Name: (3-nitrobenzyl)-[3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenyl]amine Formula: C24H26N5O4+ MolecularWeight: 448.49434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O4/c30-28(31)23-9-7-22(8-10-23)27-13-11-26(12-14-27)18-20-4-1-5-21(15-20)25-17-19-3-2-6-24(16-19)29(32)33/h1-10,15-16,25H,11-14,17-18H2/p+1