methyl 4-oxidanylidene-4-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]butanoate Openeye Name: methyl 4-oxo-4-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]-1-piperidyl]butanoate CAS Name: 4-oxo-4-[4-[(3R)-1-phenethyl-3-pyrrolidin-1-iumyl]-1-piperidinyl]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]butanoate Traditional Name: 4-keto-4-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidino]butyric acid methyl ester Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1CCC(CC1)C2CC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC(=O)N1CCC(CC1)[C@H]2CC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H32N2O3/c1-27-22(26)8-7-21(25)24-15-11-19(12-16-24)20-10-14-23(17-20)13-9-18-5-3-2-4-6-18/h2-6,19-20H,7-17H2,1H3/p+1/t20-/m0/s1