methyl 4-[[(5R)-9-[(2-fluorophenyl)methyl]-3,9-diazoniaspiro[4.5]decan-3-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(5R)-9-[(2-fluorophenyl)methyl]-3,9-diazoniaspiro[4.5]decan-3-yl]methyl]benzoate Openeye Name: methyl 4-[[(5R)-9-[(2-fluorophenyl)methyl]-3,9-diazoniaspiro[4.5]decan-3-yl]methyl]benzoate CAS Name: 4-[[(5R)-9-[(2-fluorophenyl)methyl]-3,9-diazoniaspiro[4.5]decan-3-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5R)-9-[(2-fluorophenyl)methyl]-3,9-diazoniaspiro[4.5]decan-3-yl]methyl]benzoate Traditional Name: 4-[[(5R)-9-(2-fluorobenzyl)-3,9-diazoniaspiro[4.5]decan-3-yl]methyl]benzoic acid methyl ester Formula: C24H31FN2O2+2 MolecularWeight: 398.513543

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC3(C2)CCC[NH+](C3)CC4=CC=CC=C4F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CC[C@@]3(C2)CCC[NH+](C3)CC4=CC=CC=C4F

InChI

InChI=1S/C24H29FN2O2/c1-29-23(28)20-9-7-19(8-10-20)15-27-14-12-24(18-27)11-4-13-26(17-24)16-21-5-2-3-6-22(21)25/h2-3,5-10H,4,11-18H2,1H3/p+2/t24-/m0/s1