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

Systemtic Name: (3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-azanium Openeye Name: (3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-ammonium CAS Name: (3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylammonium IUPAC Name: (3-butyl-2-ethylsulfonylimidazol-4-yl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium Traditional Name: (3-butyl-2-esyl-imidazol-4-yl)methyl-homoveratryl-methyl-ammonium Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H33N3O4S/c1-6-8-12-24-18(15-22-21(24)29(25,26)7-2)16-23(3)13-11-17-9-10-19(27-4)20(14-17)28-5/h9-10,14-15H,6-8,11-13,16H2,1-5H3/p+1