1-[(4-chlorophenyl)methyl]-4-(4-fluoranyl-2-methyl-phenyl)sulfonyl-1,4-diazepan-1-ium

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(4-fluoranyl-2-methyl-phenyl)sulfonyl-1,4-diazepan-1-ium Openeye Name: 1-[(4-chlorophenyl)methyl]-4-(4-fluoro-2-methyl-phenyl)sulfonyl-1,4-diazepan-1-ium CAS Name: 1-[(4-chlorophenyl)methyl]-4-(4-fluoro-2-methylphenyl)sulfonyl-1,4-diazepan-1-ium IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(4-fluoro-2-methylphenyl)sulfonyl-1,4-diazepan-1-ium Traditional Name: 1-(4-chlorobenzyl)-4-(4-fluoro-2-methyl-phenyl)sulfonyl-1,4-diazepan-1-ium Formula: C19H23ClFN2O2S+ MolecularWeight: 397.914523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClFN2O2S/c1-15-13-18(21)7-8-19(15)26(24,25)23-10-2-9-22(11-12-23)14-16-3-5-17(20)6-4-16/h3-8,13H,2,9-12,14H2,1H3/p+1