methyl (2S,4S)-4-(2-prop-2-enylphenoxy)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(2-prop-2-enylphenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(2-allylphenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(2-prop-2-enylphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(2-prop-2-enylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(2-allylphenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C15H20NO3+ MolecularWeight: 262.3242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH2+]1)OC2=CC=CC=C2CC=C

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH2+]1)OC2=CC=CC=C2CC=C

InChI

InChI=1S/C15H19NO3/c1-3-6-11-7-4-5-8-14(11)19-12-9-13(16-10-12)15(17)18-2/h3-5,7-8,12-13,16H,1,6,9-10H2,2H3/p+1/t12-,13-/m0/s1