2-[3-(azepan-1-ylsulfonyl)-4-fluoranyl-phenyl]ethylazanium

Systemtic Name: 2-[3-(azepan-1-ylsulfonyl)-4-fluoranyl-phenyl]ethylazanium Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-fluoro-phenyl]ethylammonium CAS Name: 2-[3-(1-azepanylsulfonyl)-4-fluorophenyl]ethylammonium IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-fluorophenyl]ethylazanium Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-fluoro-phenyl]ethylammonium Formula: C14H22FN2O2S+ MolecularWeight: 301.400083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)CC[NH3+])F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)CC[NH3+])F

InChI

InChI=1S/C14H21FN2O2S/c15-13-6-5-12(7-8-16)11-14(13)20(18,19)17-9-3-1-2-4-10-17/h5-6,11H,1-4,7-10,16H2/p+1