[4-[(6-fluoranyl-2H-chromen-3-yl)carbonylamino]phenyl]methyl-dimethyl-(thiolan-3-yl)azanium

Systemtic Name: [4-[(6-fluoranyl-2H-chromen-3-yl)carbonylamino]phenyl]methyl-dimethyl-(thiolan-3-yl)azanium Openeye Name: [4-[(6-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl-dimethyl-tetrahydrothiophen-3-yl-ammonium CAS Name: [4-[[(6-fluoro-2H-1-benzopyran-3-yl)-oxomethyl]amino]phenyl]methyl-dimethyl-(3-thiolanyl)ammonium IUPAC Name: [4-[(6-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl-dimethyl-(thiolan-3-yl)azanium Traditional Name: [4-[(6-fluoro-2H-chromene-3-carbonyl)amino]benzyl]-dimethyl-tetrahydrothiophen-3-yl-ammonium Formula: C23H26FN2O2S+ MolecularWeight: 413.528143

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)F)OC2)C4CCSC4

Isomeric SMILES

C[N+](C)(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)F)OC2)C4CCSC4

InChI

InChI=1S/C23H25FN2O2S/c1-26(2,21-9-10-29-15-21)13-16-3-6-20(7-4-16)25-23(27)18-11-17-12-19(24)5-8-22(17)28-14-18/h3-8,11-12,21H,9-10,13-15H2,1-2H3/p+1