N-[(3-nitrophenyl)methyl]-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]aniline

Systemtic Name: N-[(3-nitrophenyl)methyl]-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]aniline Openeye Name: N-[(3-nitrophenyl)methyl]-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]aniline CAS Name: N-[(3-nitrophenyl)methyl]-4-[2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]aniline IUPAC Name: N-[(3-nitrophenyl)methyl]-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]aniline Traditional Name: (3-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(=CC=C3)[N+](=O)[O-])C4=NC=CC=N4

Isomeric SMILES

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

InChI

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