methyl (2S,4S)-4-(3-ethylphenoxy)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(3-ethylphenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(3-ethylphenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(3-ethylphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(3-ethylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(3-ethylphenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C14H20NO3+ MolecularWeight: 250.3135

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OC2CC([NH2+]C2)C(=O)OC

Isomeric SMILES

CCC1=CC(=CC=C1)O[C@H]2C[C@H]([NH2+]C2)C(=O)OC

InChI

InChI=1S/C14H19NO3/c1-3-10-5-4-6-11(7-10)18-12-8-13(15-9-12)14(16)17-2/h4-7,12-13,15H,3,8-9H2,1-2H3/p+1/t12-,13-/m0/s1