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

Systemtic Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[2-(oxan-4-yl)ethyl]azanium Openeye Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-(2-tetrahydropyran-4-ylethyl)ammonium CAS Name: [2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl-methyl-[2-(4-oxanyl)ethyl]ammonium IUPAC Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[2-(oxan-4-yl)ethyl]azanium Traditional Name: [2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-(2-tetrahydropyran-4-ylethyl)ammonium Formula: C23H36N3O3S+ MolecularWeight: 434.61524

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](C)CCC3CCOCC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](C)CCC3CCOCC3

InChI

InChI=1S/C23H35N3O3S/c1-3-30(27,28)23-24-18-22(19-25(2)15-11-21-12-16-29-17-13-21)26(23)14-7-10-20-8-5-4-6-9-20/h4-6,8-9,18,21H,3,7,10-17,19H2,1-2H3/p+1