4-[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-azaniumyl]butane-1-sulfonate Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-ammonio]butane-1-sulfonate CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl-methylammonio]-1-butanesulfonate IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl-methylazaniumyl]butane-1-sulfonate Traditional Name: 4-[(4,5-dimethoxy-2-methyl-benzyl)-methyl-ammonio]butane-1-sulfonate Formula: C15H25NO5S MolecularWeight: 331.4277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+](C)CCCCS(=O)(=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+](C)CCCCS(=O)(=O)[O-])OC)OC

InChI

InChI=1S/C15H25NO5S/c1-12-9-14(20-3)15(21-4)10-13(12)11-16(2)7-5-6-8-22(17,18)19/h9-10H,5-8,11H2,1-4H3,(H,17,18,19)