N-[2,6-bis(chloranyl)phenyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[2,6-bis(chloranyl)phenyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(2,6-dichlorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(2,6-dichlorophenyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2,6-dichlorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(2,6-dichlorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C18H22Cl2N4O+2 MolecularWeight: 381.29948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CC=C2Cl)Cl)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CC=C2Cl)Cl)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H20Cl2N4O/c19-14-4-3-5-15(20)18(14)22-17(25)7-9-23-10-12-24(13-11-23)16-6-1-2-8-21-16/h1-6,8H,7,9-13H2,(H,22,25)/p+2