2-adamantyl-[(3R,5S)-5-[2-(2-fluorophenyl)ethylcarbamoyl]-1-propan-2-yl-pyrrolidin-3-yl]azanium

Systemtic Name: 2-adamantyl-[(3R,5S)-5-[2-(2-fluorophenyl)ethylcarbamoyl]-1-propan-2-yl-pyrrolidin-3-yl]azanium Openeye Name: 2-adamantyl-[(3R,5S)-5-[2-(2-fluorophenyl)ethylcarbamoyl]-1-isopropyl-pyrrolidin-3-yl]ammonium CAS Name: 2-adamantyl-[(3R,5S)-5-[[2-(2-fluorophenyl)ethylamino]-oxomethyl]-1-propan-2-yl-3-pyrrolidinyl]ammonium IUPAC Name: 2-adamantyl-[(3R,5S)-5-[2-(2-fluorophenyl)ethylcarbamoyl]-1-propan-2-ylpyrrolidin-3-yl]azanium Traditional Name: 2-adamantyl-[(3R,5S)-5-[2-(2-fluorophenyl)ethylcarbamoyl]-1-isopropyl-pyrrolidin-3-yl]ammonium Formula: C26H39FN3O+ MolecularWeight: 428.605763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC(CC1C(=O)NCCC2=CC=CC=C2F)[NH2+]C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(C)N1C[C@@H](C[C@H]1C(=O)NCCC2=CC=CC=C2F)[NH2+]C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C26H38FN3O/c1-16(2)30-15-22(29-25-20-10-17-9-18(12-20)13-21(25)11-17)14-24(30)26(31)28-8-7-19-5-3-4-6-23(19)27/h3-6,16-18,20-22,24-25,29H,7-15H2,1-2H3,(H,28,31)/p+1/t17?,18?,20?,21?,22-,24+,25?/m1/s1