3-nitro-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzamide

Systemtic Name: 3-nitro-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzamide Openeye Name: 3-nitro-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzamide CAS Name: 3-nitro-N-[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzamide Traditional Name: 3-nitro-N-[2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]benzamide Formula: C18H22N5O3+ MolecularWeight: 356.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H21N5O3/c24-18(15-4-3-5-16(14-15)23(25)26)20-8-9-21-10-12-22(13-11-21)17-6-1-2-7-19-17/h1-7,14H,8-13H2,(H,20,24)/p+1