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

Systemtic Name: 1-(4-fluoranyl-2-methyl-phenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-(4-fluoro-2-methyl-phenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium CAS Name: 1-(4-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-(4-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-(4-fluoro-2-methyl-phenyl)sulfonyl-4-p-anisyl-1,4-diazepan-4-ium Formula: C20H26FN2O3S+ MolecularWeight: 393.495443

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN2O3S/c1-16-14-18(21)6-9-20(16)27(24,25)23-11-3-10-22(12-13-23)15-17-4-7-19(26-2)8-5-17/h4-9,14H,3,10-13,15H2,1-2H3/p+1