[(1S)-1-[3-(azepan-1-ylsulfonyl)phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[3-(azepan-1-ylsulfonyl)phenyl]ethyl]azanium Openeye Name: [(1S)-1-[3-(azepan-1-ylsulfonyl)phenyl]ethyl]ammonium CAS Name: [(1S)-1-[3-(1-azepanylsulfonyl)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[3-(azepan-1-ylsulfonyl)phenyl]ethyl]azanium Traditional Name: [(1S)-1-[3-(azepan-1-ylsulfonyl)phenyl]ethyl]ammonium Formula: C14H23N2O2S+ MolecularWeight: 283.40962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)[NH3+]

InChI

InChI=1S/C14H22N2O2S/c1-12(15)13-7-6-8-14(11-13)19(17,18)16-9-4-2-3-5-10-16/h6-8,11-12H,2-5,9-10,15H2,1H3/p+1/t12-/m0/s1