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

Systemtic Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[[(2R)-oxan-2-yl]methyl]azanium Openeye Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[[(2R)-tetrahydropyran-2-yl]methyl]ammonium CAS Name: [2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl-methyl-[[(2R)-2-oxanyl]methyl]ammonium IUPAC Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[[(2R)-oxan-2-yl]methyl]azanium Traditional Name: [2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[[(2R)-tetrahydropyran-2-yl]methyl]ammonium Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](C)CC3CCCCO3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](C)C[C@H]3CCCCO3

InChI

InChI=1S/C22H33N3O3S/c1-3-29(26,27)22-23-16-20(17-24(2)18-21-13-7-8-15-28-21)25(22)14-9-12-19-10-5-4-6-11-19/h4-6,10-11,16,21H,3,7-9,12-15,17-18H2,1-2H3/p+1/t21-/m1/s1