N-[(4-nitrophenyl)methyl]-4-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]aniline

Systemtic Name: N-[(4-nitrophenyl)methyl]-4-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]aniline Openeye Name: N-[(4-nitrophenyl)methyl]-4-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]aniline CAS Name: N-[(4-nitrophenyl)methyl]-4-[2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]ethyl]aniline IUPAC Name: N-[(4-nitrophenyl)methyl]-4-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]aniline Traditional Name: (4-nitrobenzyl)-[4-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]phenyl]amine Formula: C25H28N5O4+ MolecularWeight: 462.52092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=C(C=C2)NCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=C(C=C2)NCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O4/c31-29(32)24-7-3-21(4-8-24)19-26-22-5-1-20(2-6-22)13-14-27-15-17-28(18-16-27)23-9-11-25(12-10-23)30(33)34/h1-12,26H,13-19H2/p+1