(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[[(2R)-oxan-2-yl]methyl]azanium

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[[(2R)-oxan-2-yl]methyl]azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[[(2R)-tetrahydropyran-2-yl]methyl]ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-methyl-[[(2R)-2-oxanyl]methyl]ammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-methyl-[[(2R)-oxan-2-yl]methyl]azanium Traditional Name: (2-esyl-3-phenethyl-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:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3CCCCO3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)C[C@H]3CCCCO3

InChI

InChI=1S/C21H31N3O3S/c1-3-28(25,26)21-22-15-19(16-23(2)17-20-11-7-8-14-27-20)24(21)13-12-18-9-5-4-6-10-18/h4-6,9-10,15,20H,3,7-8,11-14,16-17H2,1-2H3/p+1/t20-/m1/s1