1-pyridin-1-ium-2-yl-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine

Systemtic Name: 1-pyridin-1-ium-2-yl-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine Openeye Name: 1-pyridin-1-ium-2-yl-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine CAS Name: 1-(2-pyridin-1-iumyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine IUPAC Name: 1-pyridin-1-ium-2-yl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine Traditional Name: 1-mesitylsulfonyl-4-pyridin-1-ium-2-yl-piperazine Formula: C18H24N3O2S+ MolecularWeight: 346.46706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C18H23N3O2S/c1-14-12-15(2)18(16(3)13-14)24(22,23)21-10-8-20(9-11-21)17-6-4-5-7-19-17/h4-7,12-13H,8-11H2,1-3H3/p+1