3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridin-1-ium; methanesulfonate

Systemtic Name: 3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridin-1-ium; methanesulfonate Openeye Name: 4-(1-ethylpropoxy)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-1-ium; methanesulfonate CAS Name: 3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridin-1-ium; methanesulfonate IUPAC Name: 3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridin-1-ium; methanesulfonate Traditional Name: 4-(1-ethylpropoxy)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-1-ium mesylate Formula: C22H33NO5S MolecularWeight: 423.56612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=CC(=[NH+]C(=C1C)OC2=C(C=C(C=C2C)C)C)C.CS(=O)(=O)[O-]

Isomeric SMILES

CCC(CC)OC1=CC(=[NH+]C(=C1C)OC2=C(C=C(C=C2C)C)C)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C21H29NO2.CH4O3S/c1-8-18(9-2)23-19-12-16(6)22-21(17(19)7)24-20-14(4)10-13(3)11-15(20)5;1-5(2,3)4/h10-12,18H,8-9H2,1-7H3;1H3,(H,2,3,4)