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

Systemtic Name: N-[2,3-bis(chloranyl)phenyl]-3-piperazin-4-ium-1-yl-propanamide Openeye Name: N-(2,3-dichlorophenyl)-3-piperazin-4-ium-1-yl-propanamide CAS Name: N-(2,3-dichlorophenyl)-3-(1-piperazin-4-iumyl)propanamide IUPAC Name: N-(2,3-dichlorophenyl)-3-piperazin-4-ium-1-ylpropanamide Traditional Name: N-(2,3-dichlorophenyl)-3-piperazin-4-ium-1-yl-propionamide Formula: C13H18Cl2N3O+ MolecularWeight: 303.20752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCC(=O)NC2=C(C(=CC=C2)Cl)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)CCC(=O)NC2=C(C(=CC=C2)Cl)Cl

InChI

InChI=1S/C13H17Cl2N3O/c14-10-2-1-3-11(13(10)15)17-12(19)4-7-18-8-5-16-6-9-18/h1-3,16H,4-9H2,(H,17,19)/p+1