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

Systemtic Name: 4-[(2,4-dimethyl-6-propan-2-yl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate Openeye Name: 4-[(2-isopropyl-4,6-dimethyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate CAS Name: 4-[(2,4-dimethyl-6-propan-2-yl-1-pyridin-1-iumyl)methyl]benzenesulfonamide chlorate IUPAC Name: 4-[(2,4-dimethyl-6-propan-2-ylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate Traditional Name: 4-[(2-isopropyl-4,6-dimethyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N2O2S.ClHO3/c1-12(2)17-10-13(3)9-14(4)19(17)11-15-5-7-16(8-6-15)22(18,20)21;2-1(3)4/h5-10,12H,11H2,1-4H3,(H2,18,20,21);(H,2,3,4)/q+1;/p-1