(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: (3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: (3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-[(3,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: (3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl-[(3,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: (3-butyl-2-ethylsulfonylimidazol-4-yl)methyl-[(3,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: (3-butyl-2-esyl-imidazol-4-yl)methyl-methyl-veratryl-ammonium Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H31N3O4S/c1-6-8-11-23-17(13-21-20(23)28(24,25)7-2)15-22(3)14-16-9-10-18(26-4)19(12-16)27-5/h9-10,12-13H,6-8,11,14-15H2,1-5H3/p+1