methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-[[(2R)-oxan-2-yl]methyl]azanium

Systemtic Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-[[(2R)-oxan-2-yl]methyl]azanium Openeye Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-[[(2R)-tetrahydropyran-2-yl]methyl]ammonium CAS Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-[[(2R)-2-oxanyl]methyl]ammonium IUPAC Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-[[(2R)-oxan-2-yl]methyl]azanium Traditional Name: [2-mesyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[[(2R)-tetrahydropyran-2-yl]methyl]ammonium Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CCCCO1)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

C[NH+](C[C@H]1CCCCO1)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H31N3O3S/c1-23(17-20-12-6-7-14-27-20)16-19-15-22-21(28(2,25)26)24(19)13-8-11-18-9-4-3-5-10-18/h3-5,9-10,15,20H,6-8,11-14,16-17H2,1-2H3/p+1/t20-/m1/s1