(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-(furan-2-ylmethyl)-methyl-azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-(2-furylmethyl)-methyl-ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-(2-furanylmethyl)-methylammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-(furan-2-ylmethyl)-methylazanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-(2-furfuryl)-methyl-ammonium Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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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=CO3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CC=CO3

InChI

InChI=1S/C20H25N3O3S/c1-3-27(24,25)20-21-14-18(15-22(2)16-19-10-7-13-26-19)23(20)12-11-17-8-5-4-6-9-17/h4-10,13-14H,3,11-12,15-16H2,1-2H3/p+1