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

Systemtic Name: [2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-(oxan-4-yl)azanium Openeye Name: (3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl-methyl-tetrahydropyran-4-yl-ammonium CAS Name: [2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl-methyl-(4-oxanyl)ammonium IUPAC Name: (3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl-methyl-(oxan-4-yl)azanium Traditional Name: (3-benzyl-2-esyl-imidazol-4-yl)methyl-methyl-tetrahydropyran-4-yl-ammonium Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)C3CCOCC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)C3CCOCC3

InChI

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