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

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-methyl-azanium Openeye Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-methyl-ammonium CAS Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[3-butyl-2-(cyclobutylmethylsulfonyl)-4-imidazolyl]methyl]-methylammonium IUPAC Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-methylazanium Traditional Name: benzofurazan-5-ylmethyl-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-methyl-ammonium Formula: C21H30N5O3S+ MolecularWeight: 432.5596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)C[NH+](C)CC3=CC4=NON=C4C=C3

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)C[NH+](C)CC3=CC4=NON=C4C=C3

InChI

InChI=1S/C21H29N5O3S/c1-3-4-10-26-18(12-22-21(26)30(27,28)15-16-6-5-7-16)14-25(2)13-17-8-9-19-20(11-17)24-29-23-19/h8-9,11-12,16H,3-7,10,13-15H2,1-2H3/p+1