cyclopropyl-[[4-(diethylamino)-2-(4-fluorophenyl)sulfonyloxy-phenyl]methyl]azanium

Systemtic Name: cyclopropyl-[[4-(diethylamino)-2-(4-fluorophenyl)sulfonyloxy-phenyl]methyl]azanium Openeye Name: cyclopropyl-[[4-(diethylamino)-2-(4-fluorophenyl)sulfonyloxy-phenyl]methyl]ammonium CAS Name: cyclopropyl-[[4-(diethylamino)-2-(4-fluorophenyl)sulfonyloxyphenyl]methyl]ammonium IUPAC Name: cyclopropyl-[[4-(diethylamino)-2-(4-fluorophenyl)sulfonyloxyphenyl]methyl]azanium Traditional Name: cyclopropyl-[4-(diethylamino)-2-(4-fluorophenyl)sulfonyloxy-benzyl]ammonium Formula: C20H26FN2O3S+ MolecularWeight: 393.495443

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C[NH2+]C2CC2)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C[NH2+]C2CC2)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H25FN2O3S/c1-3-23(4-2)18-10-5-15(14-22-17-8-9-17)20(13-18)26-27(24,25)19-11-6-16(21)7-12-19/h5-7,10-13,17,22H,3-4,8-9,14H2,1-2H3/p+1