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

Systemtic Name: N-[2-[(4-nitrophenyl)amino]ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(4-nitroanilino)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(4-nitroanilino)ethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4-nitroanilino)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(4-nitroanilino)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C19H26N6O3+2 MolecularWeight: 386.44814

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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=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H24N6O3/c26-19(22-10-9-20-16-4-6-17(7-5-16)25(27)28)15-23-11-13-24(14-12-23)18-3-1-2-8-21-18/h1-8,20H,9-15H2,(H,22,26)/p+2