(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(5-methyl-2-furyl)methyl]ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-methyl-[(5-methyl-2-furanyl)methyl]ammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(5-methyl-2-furyl)methyl]ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CC=C(O3)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CC=C(O3)C

InChI

InChI=1S/C21H27N3O3S/c1-4-28(25,26)21-22-14-19(15-23(3)16-20-11-10-17(2)27-20)24(21)13-12-18-8-6-5-7-9-18/h5-11,14H,4,12-13,15-16H2,1-3H3/p+1