1-[[2,3-bis(chloranyl)phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[[2,3-bis(chloranyl)phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[(2,3-dichlorophenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[(2,3-dichlorophenyl)methyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[(2,3-dichlorophenyl)methyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(2,3-dichlorobenzyl)-4-pyridin-1-ium-2-yl-piperazine Formula: C16H18Cl2N3+ MolecularWeight: 323.24022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C(=CC=C2)Cl)Cl)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CC2=C(C(=CC=C2)Cl)Cl)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H17Cl2N3/c17-14-5-3-4-13(16(14)18)12-20-8-10-21(11-9-20)15-6-1-2-7-19-15/h1-7H,8-12H2/p+1