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

Systemtic Name: N-[(4-nitrophenyl)methyl]-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]aniline Openeye Name: N-[(4-nitrophenyl)methyl]-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]aniline CAS Name: N-[(4-nitrophenyl)methyl]-4-[2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]aniline IUPAC Name: N-[(4-nitrophenyl)methyl]-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]aniline Traditional Name: (4-nitrobenzyl)-[4-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethyl]phenyl]amine Formula: C23H27N6O2+ MolecularWeight: 419.49948

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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=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=C(C=C2)NCC3=CC=C(C=C3)[N+](=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C23H26N6O2/c30-29(31)22-8-4-20(5-9-22)18-26-21-6-2-19(3-7-21)10-13-27-14-16-28(17-15-27)23-24-11-1-12-25-23/h1-9,11-12,26H,10,13-18H2/p+1