[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium

Systemtic Name: [2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium Openeye Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-methyl-[(5-methyl-2-furyl)methyl]ammonium CAS Name: [2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl-methyl-[(5-methyl-2-furanyl)methyl]ammonium IUPAC Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium Traditional Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-methyl-[(5-methyl-2-furyl)methyl]ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+](C)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CCOC

Isomeric SMILES

CC1=CC=C(O1)C[NH+](C)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CCOC

InChI

InChI=1S/C21H27N3O4S/c1-17-9-10-20(28-17)16-23(2)15-19-13-22-21(29(25,26)12-11-27-3)24(19)14-18-7-5-4-6-8-18/h4-10,13H,11-12,14-16H2,1-3H3/p+1