2-(3,4-dimethoxyphenyl)ethyl-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-methylazanium Traditional Name: homoveratryl-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-methyl-ammonium Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC2=CN=C(N2CCCOC)S(=O)(=O)C

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC2=CN=C(N2CCCOC)S(=O)(=O)C

InChI

InChI=1S/C20H31N3O5S/c1-22(11-9-16-7-8-18(27-3)19(13-16)28-4)15-17-14-21-20(29(5,24)25)23(17)10-6-12-26-2/h7-8,13-14H,6,9-12,15H2,1-5H3/p+1