N-[2-[(4-nitrophenyl)amino]ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-[(4-nitrophenyl)amino]ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(4-nitroanilino)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(4-nitroanilino)ethyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(4-nitroanilino)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(4-nitroanilino)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C20H26N5O3+ MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H25N5O3/c26-20(22-11-10-21-17-6-8-19(9-7-17)25(27)28)16-23-12-14-24(15-13-23)18-4-2-1-3-5-18/h1-9,21H,10-16H2,(H,22,26)/p+1