1-[2,5-bis(chloranyl)-3,6-dimethyl-phenyl]sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[2,5-bis(chloranyl)-3,6-dimethyl-phenyl]sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(2,5-dichloro-3,6-dimethyl-phenyl)sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(2,5-dichloro-3,6-dimethyl-phenyl)sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium Formula: C18H22Cl2N3O2S+ MolecularWeight: 415.35718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=N3)C)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=N3)C)Cl

InChI

InChI=1S/C18H21Cl2N3O2S/c1-13-11-16(19)14(2)18(17(13)20)26(24,25)23-9-7-22(8-10-23)12-15-5-3-4-6-21-15/h3-6,11H,7-10,12H2,1-2H3/p+1