(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(3S)-oxolan-3-yl]azanium

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(3S)-oxolan-3-yl]azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(3S)-tetrahydrofuran-3-yl]ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-methyl-[(3S)-3-oxolanyl]ammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-methyl-[(3S)-oxolan-3-yl]azanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(3S)-tetrahydrofuran-3-yl]ammonium Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)C3CCOC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)[C@H]3CCOC3

InChI

InChI=1S/C19H27N3O3S/c1-3-26(23,24)19-20-13-18(14-21(2)17-10-12-25-15-17)22(19)11-9-16-7-5-4-6-8-16/h4-8,13,17H,3,9-12,14-15H2,1-2H3/p+1/t17-/m0/s1