1-[(2S)-3-(5-fluoranyl-2,3-dimethyl-indol-1-yl)-2-oxidanyl-propyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(2S)-3-(5-fluoranyl-2,3-dimethyl-indol-1-yl)-2-oxidanyl-propyl]piperidin-1-ium-4-ol Openeye Name: 1-[(2S)-3-(5-fluoro-2,3-dimethyl-indol-1-yl)-2-hydroxy-propyl]piperidin-1-ium-4-ol CAS Name: 1-[(2S)-3-(5-fluoro-2,3-dimethyl-1-indolyl)-2-hydroxypropyl]-4-piperidin-1-iumol IUPAC Name: 1-[(2S)-3-(5-fluoro-2,3-dimethylindol-1-yl)-2-hydroxypropyl]piperidin-1-ium-4-ol Traditional Name: 1-[(2S)-3-(5-fluoro-2,3-dimethyl-indol-1-yl)-2-hydroxy-propyl]piperidin-1-ium-4-ol Formula: C18H26FN2O2+ MolecularWeight: 321.409643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)F)CC(C[NH+]3CCC(CC3)O)O)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)F)C[C@@H](C[NH+]3CCC(CC3)O)O)C

InChI

InChI=1S/C18H25FN2O2/c1-12-13(2)21(18-4-3-14(19)9-17(12)18)11-16(23)10-20-7-5-15(22)6-8-20/h3-4,9,15-16,22-23H,5-8,10-11H2,1-2H3/p+1/t16-/m1/s1