1,3-benzoxazol-2-ylmethyl-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-methyl-azanium

Systemtic Name: 1,3-benzoxazol-2-ylmethyl-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-methyl-azanium Openeye Name: 1,3-benzoxazol-2-ylmethyl-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzoxazol-2-ylmethyl-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-methylammonium IUPAC Name: 1,3-benzoxazol-2-ylmethyl-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-methylazanium Traditional Name: 1,3-benzoxazol-2-ylmethyl-[(3-butyl-2-esyl-imidazol-4-yl)methyl]-methyl-ammonium Formula: C19H27N4O3S+ MolecularWeight: 391.50768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)CC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)CC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H26N4O3S/c1-4-6-11-23-15(12-20-19(23)27(24,25)5-2)13-22(3)14-18-21-16-9-7-8-10-17(16)26-18/h7-10,12H,4-6,11,13-14H2,1-3H3/p+1