(2S)-1-(azepan-1-ium-1-yl)-3-(5-fluoranyl-2,3-dimethyl-indol-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-(5-fluoranyl-2,3-dimethyl-indol-1-yl)propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-(5-fluoro-2,3-dimethyl-indol-1-yl)propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-(5-fluoro-2,3-dimethyl-1-indolyl)-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-(5-fluoro-2,3-dimethylindol-1-yl)propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-(5-fluoro-2,3-dimethyl-indol-1-yl)propan-2-ol Formula: C19H28FN2O+ MolecularWeight: 319.436823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)F)CC(C[NH+]3CCCCCC3)O)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)F)C[C@@H](C[NH+]3CCCCCC3)O)C

InChI

InChI=1S/C19H27FN2O/c1-14-15(2)22(19-8-7-16(20)11-18(14)19)13-17(23)12-21-9-5-3-4-6-10-21/h7-8,11,17,23H,3-6,9-10,12-13H2,1-2H3/p+1/t17-/m1/s1