2,1,3-benzoxadiazol-5-ylmethyl-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-azanium

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-azanium Openeye Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-ammonium CAS Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-methylammonium IUPAC Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]-methylazanium Traditional Name: benzofurazan-5-ylmethyl-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-ammonium Formula: C22H26N5O3S+ MolecularWeight: 440.53854

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CC4=NON=C4C=C3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CC4=NON=C4C=C3

InChI

InChI=1S/C22H25N5O3S/c1-3-31(28,29)22-23-14-19(27(22)12-11-17-7-5-4-6-8-17)16-26(2)15-18-9-10-20-21(13-18)25-30-24-20/h4-10,13-14H,3,11-12,15-16H2,1-2H3/p+1