cyclopropylmethyl-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: cyclopropylmethyl-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-(cyclopropylmethyl)-[[2-methylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]ammonium CAS Name: cyclopropylmethyl-[[2-methylsulfonyl-3-[[(2R)-2-oxolanyl]methyl]-4-imidazolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(cyclopropylmethyl)-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]azanium Traditional Name: benzyl-(cyclopropylmethyl)-[[2-mesyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]ammonium Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CC2CCCO2)C[NH+](CC3CC3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1C[C@H]2CCCO2)C[NH+](CC3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H29N3O3S/c1-28(25,26)21-22-12-19(24(21)16-20-8-5-11-27-20)15-23(14-18-9-10-18)13-17-6-3-2-4-7-17/h2-4,6-7,12,18,20H,5,8-11,13-16H2,1H3/p+1/t20-/m1/s1