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

Systemtic Name: N-[(3-nitrophenyl)methyl]-4-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]aniline Openeye Name: N-[(3-nitrophenyl)methyl]-4-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]aniline CAS Name: N-[(3-nitrophenyl)methyl]-4-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]aniline IUPAC Name: N-[(3-nitrophenyl)methyl]-4-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]aniline Traditional Name: (3-nitrobenzyl)-[4-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]phenyl]amine Formula: C25H29N4O2+ MolecularWeight: 417.52336

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O2/c30-29(31)25-8-4-5-22(19-25)20-26-23-11-9-21(10-12-23)13-14-27-15-17-28(18-16-27)24-6-2-1-3-7-24/h1-12,19,26H,13-18,20H2/p+1