furan-2-ylmethyl-methyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]azanium

Systemtic Name: furan-2-ylmethyl-methyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]azanium Openeye Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-(2-furylmethyl)-methyl-ammonium CAS Name: 2-furanylmethyl-methyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]ammonium IUPAC Name: [2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-(furan-2-ylmethyl)-methylazanium Traditional Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-(2-furfuryl)-methyl-ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+](C)CC3=CC=CO3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+](C)CC3=CC=CO3

InChI

InChI=1S/C21H27N3O3S/c1-17(2)13-24-19(14-23(3)15-20-10-7-11-27-20)12-22-21(24)28(25,26)16-18-8-5-4-6-9-18/h4-12,17H,13-16H2,1-3H3/p+1