ethyl 4-[1-(phenylmethyl)pyrrolidin-1-ium-1-yl]oxybenzoate

Systemtic Name: ethyl 4-[1-(phenylmethyl)pyrrolidin-1-ium-1-yl]oxybenzoate Openeye Name: ethyl 4-(1-benzylpyrrolidin-1-ium-1-yl)oxybenzoate CAS Name: 4-[[1-(phenylmethyl)-1-pyrrolidin-1-iumyl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-(1-benzylpyrrolidin-1-ium-1-yl)oxybenzoate Traditional Name: 4-(1-benzylpyrrolidin-1-ium-1-yl)oxybenzoic acid ethyl ester Formula: C20H24NO3+ MolecularWeight: 326.40946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)O[N+]2(CCCC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)O[N+]2(CCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24NO3/c1-2-23-20(22)18-10-12-19(13-11-18)24-21(14-6-7-15-21)16-17-8-4-3-5-9-17/h3-5,8-13H,2,6-7,14-16H2,1H3/q+1