[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl-methyl-(1,2-oxazol-5-ylmethyl)azanium

Systemtic Name: [3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl-methyl-(1,2-oxazol-5-ylmethyl)azanium Openeye Name: [2-isopentylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl-(isoxazol-5-ylmethyl)-methyl-ammonium CAS Name: 5-isoxazolylmethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-4-imidazolyl]methyl]-methylammonium IUPAC Name: [3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl-methyl-(1,2-oxazol-5-ylmethyl)azanium Traditional Name: [2-isoamylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl-(isoxazol-5-ylmethyl)-methyl-ammonium Formula: C17H29N4O4S+ MolecularWeight: 385.50156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+](C)CC2=CC=NO2

Isomeric SMILES

CC(C)CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+](C)CC2=CC=NO2

InChI

InChI=1S/C17H28N4O4S/c1-14(2)6-10-26(22,23)17-18-11-15(21(17)8-9-24-4)12-20(3)13-16-5-7-19-25-16/h5,7,11,14H,6,8-10,12-13H2,1-4H3/p+1