isoquinolin-5-ylmethyl-methyl-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]azanium

Systemtic Name: isoquinolin-5-ylmethyl-methyl-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]azanium Openeye Name: 5-isoquinolylmethyl-methyl-[[2-methylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]ammonium CAS Name: 5-isoquinolinylmethyl-methyl-[[2-methylsulfonyl-3-[[(2R)-2-oxolanyl]methyl]-4-imidazolyl]methyl]ammonium IUPAC Name: isoquinolin-5-ylmethyl-methyl-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]azanium Traditional Name: 5-isoquinolylmethyl-[[2-mesyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]-methyl-ammonium Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC2=C1C=CN=C2)CC3=CN=C(N3CC4CCCO4)S(=O)(=O)C

Isomeric SMILES

C[NH+](CC1=CC=CC2=C1C=CN=C2)CC3=CN=C(N3C[C@H]4CCCO4)S(=O)(=O)C

InChI

InChI=1S/C21H26N4O3S/c1-24(13-17-6-3-5-16-11-22-9-8-20(16)17)14-18-12-23-21(29(2,26)27)25(18)15-19-7-4-10-28-19/h3,5-6,8-9,11-12,19H,4,7,10,13-15H2,1-2H3/p+1/t19-/m1/s1