(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-methyl-azanium

Systemtic Name: (3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-methyl-azanium Openeye Name: (3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-methyl-ammonium CAS Name: (3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-methylammonium IUPAC Name: (3-butyl-2-ethylsulfonylimidazol-4-yl)methyl-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-methylazanium Traditional Name: (3-butyl-2-esyl-imidazol-4-yl)methyl-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-methyl-ammonium Formula: C21H32N3O4S+ MolecularWeight: 422.56148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)C(C)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)[C@H](C)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H31N3O4S/c1-5-7-10-24-18(14-22-21(24)29(25,26)6-2)15-23(4)16(3)17-8-9-19-20(13-17)28-12-11-27-19/h8-9,13-14,16H,5-7,10-12,15H2,1-4H3/p+1/t16-/m1/s1