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

Systemtic Name: methyl 4-[1-(phenylmethyl)pyrrolidin-1-ium-1-yl]oxybenzoate Openeye Name: methyl 4-(1-benzylpyrrolidin-1-ium-1-yl)oxybenzoate CAS Name: 4-[[1-(phenylmethyl)-1-pyrrolidin-1-iumyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-(1-benzylpyrrolidin-1-ium-1-yl)oxybenzoate Traditional Name: 4-(1-benzylpyrrolidin-1-ium-1-yl)oxybenzoic acid methyl ester Formula: C19H22NO3+ MolecularWeight: 312.38288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22NO3/c1-22-19(21)17-9-11-18(12-10-17)23-20(13-5-6-14-20)15-16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-15H2,1H3/q+1