4-azanyl-N-[2-[4-(1-oxidanidylpyridin-1-ium-2-yl)piperazin-1-yl]ethyl]benzamide

Systemtic Name: 4-azanyl-N-[2-[4-(1-oxidanidylpyridin-1-ium-2-yl)piperazin-1-yl]ethyl]benzamide Openeye Name: 4-amino-N-[2-[4-(1-oxidopyridin-1-ium-2-yl)piperazin-1-yl]ethyl]benzamide CAS Name: 4-amino-N-[2-[4-(1-oxido-2-pyridin-1-iumyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 4-amino-N-[2-[4-(1-oxidopyridin-1-ium-2-yl)piperazin-1-yl]ethyl]benzamide Traditional Name: 4-amino-N-[2-[4-(1-oxidopyridin-1-ium-2-yl)piperazino]ethyl]benzamide Formula: C18H23N5O2 MolecularWeight: 341.40752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2/c19-16-6-4-15(5-7-16)18(24)20-8-10-21-11-13-22(14-12-21)17-3-1-2-9-23(17)25/h1-7,9H,8,10-14,19H2,(H,20,24)