methyl 2-[2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[2-oxo-1-(3-phenylpropyl)pyrrolidin-1-ium-1-yl]acetate CAS Name: 2-[2-oxo-1-(3-phenylpropyl)-1-pyrrolidin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-oxo-1-(3-phenylpropyl)pyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-[2-keto-1-(3-phenylpropyl)pyrrolidin-1-ium-1-yl]acetic acid methyl ester Formula: C16H22NO3+ MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1(CCCC1=O)CCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C[N+]1(CCCC1=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C16H22NO3/c1-20-16(19)13-17(12-6-10-15(17)18)11-5-9-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13H2,1H3/q+1