methyl-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-(quinolin-4-ylmethyl)azanium

Systemtic Name: methyl-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-(quinolin-4-ylmethyl)azanium Openeye Name: methyl-[[2-methylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]-(4-quinolylmethyl)ammonium CAS Name: methyl-[[2-methylsulfonyl-3-[[(2R)-2-oxolanyl]methyl]-4-imidazolyl]methyl]-(4-quinolinylmethyl)ammonium IUPAC Name: methyl-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-(quinolin-4-ylmethyl)azanium Traditional Name: [2-mesyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl-methyl-(4-quinolylmethyl)ammonium Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=NC2=CC=CC=C12)CC3=CN=C(N3CC4CCCO4)S(=O)(=O)C

Isomeric SMILES

C[NH+](CC1=CC=NC2=CC=CC=C12)CC3=CN=C(N3C[C@H]4CCCO4)S(=O)(=O)C

InChI

InChI=1S/C21H26N4O3S/c1-24(13-16-9-10-22-20-8-4-3-7-19(16)20)14-17-12-23-21(29(2,26)27)25(17)15-18-6-5-11-28-18/h3-4,7-10,12,18H,5-6,11,13-15H2,1-2H3/p+1/t18-/m1/s1