(3R,4R)-1-[(5-fluoranyl-3-methyl-1H-indol-2-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(5-fluoranyl-3-methyl-1H-indol-2-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-phenethyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C27H37FN4O+2 MolecularWeight: 452.607283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)F)C[NH+]3CCC(C(C3)O)N4CC[NH+](CC4)CCC5=CC=CC=C5

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)F)C[NH+]3CC[C@H]([C@@H](C3)O)N4CC[NH+](CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H35FN4O/c1-20-23-17-22(28)7-8-24(23)29-25(20)18-31-12-10-26(27(33)19-31)32-15-13-30(14-16-32)11-9-21-5-3-2-4-6-21/h2-8,17,26-27,29,33H,9-16,18-19H2,1H3/p+2/t26-,27-/m1/s1