4-[[4-methyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]methyl]benzenesulfonamide perchlorate

Systemtic Name: 4-[[4-methyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]methyl]benzenesulfonamide perchlorate Openeye Name: 4-[(2,6-diisopropyl-4-methyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide perchlorate CAS Name: 4-[[4-methyl-2,6-di(propan-2-yl)-1-pyridin-1-iumyl]methyl]benzenesulfonamide perchlorate IUPAC Name: 4-[[4-methyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]methyl]benzenesulfonamide perchlorate Traditional Name: 4-[(2,6-diisopropyl-4-methyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide perchlorate Formula: C19H27ClN2O6S MolecularWeight: 446.94548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C(C)C)CC2=CC=C(C=C2)S(=O)(=O)N)C(C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C(C)C)CC2=CC=C(C=C2)S(=O)(=O)N)C(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C19H27N2O2S.ClHO4/c1-13(2)18-10-15(5)11-19(14(3)4)21(18)12-16-6-8-17(9-7-16)24(20,22)23;2-1(3,4)5/h6-11,13-14H,12H2,1-5H3,(H2,20,22,23);(H,2,3,4,5)/q+1;/p-1