methyl 5-oxidanylidene-5-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]pentanoate

Systemtic Name: methyl 5-oxidanylidene-5-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]pentanoate Openeye Name: methyl 5-oxo-5-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]pentanoate CAS Name: 5-oxo-5-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]pentanoic acid methyl ester IUPAC Name: methyl 5-oxo-5-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]pentanoate Traditional Name: 5-keto-5-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]valeric acid methyl ester Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)N1CCC2(C1)CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCC(=O)N1CC[C@@]2(C1)CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H32N2O3/c1-27-21(26)10-5-9-20(25)24-16-13-22(18-24)12-6-14-23(17-22)15-11-19-7-3-2-4-8-19/h2-4,7-8H,5-6,9-18H2,1H3/p+1/t22-/m0/s1