2-[(3-methoxy-4-oxidanyl-phenyl)methylazaniumyl]ethyl-methylsulfonyl-azanide

Systemtic Name: 2-[(3-methoxy-4-oxidanyl-phenyl)methylazaniumyl]ethyl-methylsulfonyl-azanide Openeye Name: 2-[(4-hydroxy-3-methoxy-phenyl)methylammonio]ethyl-methylsulfonyl-azanide CAS Name: 2-[(4-hydroxy-3-methoxyphenyl)methylammonio]ethyl-methylsulfonylazanide IUPAC Name: 2-[(4-hydroxy-3-methoxyphenyl)methylazaniumyl]ethyl-methylsulfonylazanide Traditional Name: mesyl-[2-(vanillylammonio)ethyl]azanide Formula: C11H18N2O4S MolecularWeight: 274.33662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC[N-]S(=O)(=O)C)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC[N-]S(=O)(=O)C)O

InChI

InChI=1S/C11H17N2O4S/c1-17-11-7-9(3-4-10(11)14)8-12-5-6-13-18(2,15)16/h3-4,7,12,14H,5-6,8H2,1-2H3/q-1/p+1