1-(4-chlorophenyl)propan-2-yl-(furan-2-ylmethyl)-methyl-azanium; N-cyclohexylsulfamate

Systemtic Name: 1-(4-chlorophenyl)propan-2-yl-(furan-2-ylmethyl)-methyl-azanium; N-cyclohexylsulfamate Openeye Name: [2-(4-chlorophenyl)-1-methyl-ethyl]-(2-furylmethyl)-methyl-ammonium; N-cyclohexylsulfamate CAS Name: 1-(4-chlorophenyl)propan-2-yl-(2-furanylmethyl)-methylammonium; N-cyclohexylsulfamate IUPAC Name: 1-(4-chlorophenyl)propan-2-yl-(furan-2-ylmethyl)-methylazanium; N-cyclohexylsulfamate Traditional Name: [2-(4-chlorophenyl)-1-methyl-ethyl]-(2-furfuryl)-methyl-ammonium; N-cyclohexylsulfamate Formula: C21H31ClN2O4S MolecularWeight: 442.99984

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)Cl)[NH+](C)CC2=CC=CO2.C1CCC(CC1)NS(=O)(=O)[O-]

Isomeric SMILES

CC(CC1=CC=C(C=C1)Cl)[NH+](C)CC2=CC=CO2.C1CCC(CC1)NS(=O)(=O)[O-]

InChI

InChI=1S/C15H18ClNO.C6H13NO3S/c1-12(10-13-5-7-14(16)8-6-13)17(2)11-15-4-3-9-18-15;8-11(9,10)7-6-4-2-1-3-5-6/h3-9,12H,10-11H2,1-2H3;6-7H,1-5H2,(H,8,9,10)