methylsulfonyl-[2-[(2,3,4-trimethoxyphenyl)methylazaniumyl]ethyl]azanide

Systemtic Name: methylsulfonyl-[2-[(2,3,4-trimethoxyphenyl)methylazaniumyl]ethyl]azanide Openeye Name: methylsulfonyl-[2-[(2,3,4-trimethoxyphenyl)methylammonio]ethyl]azanide CAS Name: methylsulfonyl-[2-[(2,3,4-trimethoxyphenyl)methylammonio]ethyl]azanide IUPAC Name: methylsulfonyl-[2-[(2,3,4-trimethoxyphenyl)methylazaniumyl]ethyl]azanide Traditional Name: mesyl-[2-[(2,3,4-trimethoxybenzyl)ammonio]ethyl]azanide Formula: C13H22N2O5S MolecularWeight: 318.38918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N2O5S/c1-18-11-6-5-10(12(19-2)13(11)20-3)9-14-7-8-15-21(4,16)17/h5-6,14H,7-9H2,1-4H3/q-1/p+1