1-pyridin-1-ium-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine

Systemtic Name: 1-pyridin-1-ium-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine Openeye Name: 1-pyridin-1-ium-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine CAS Name: 1-(2-pyridin-1-iumyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine IUPAC Name: 1-pyridin-1-ium-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine Traditional Name: 1-pyridin-1-ium-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine Formula: C19H26N3O2S+ MolecularWeight: 360.49364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C)C

InChI

InChI=1S/C19H25N3O2S/c1-14-13-15(2)17(4)19(16(14)3)25(23,24)22-11-9-21(10-12-22)18-7-5-6-8-20-18/h5-8,13H,9-12H2,1-4H3/p+1