[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-(furan-2-ylmethyl)-methyl-azanium Openeye Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-(2-furylmethyl)-methyl-ammonium CAS Name: [3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl-(2-furanylmethyl)-methylammonium IUPAC Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-(furan-2-ylmethyl)-methylazanium Traditional Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-(2-furfuryl)-methyl-ammonium Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+](C)CC2=CC=CO2

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+](C)CC2=CC=CO2

InChI

InChI=1S/C20H33N3O3S/c1-5-6-11-23-18(15-22(4)16-19-10-7-12-26-19)14-21-20(23)27(24,25)13-8-9-17(2)3/h7,10,12,14,17H,5-6,8-9,11,13,15-16H2,1-4H3/p+1