ethyl 2-[(3R,4S)-4-azanyl-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanoate

Systemtic Name: ethyl 2-[(3R,4S)-4-azanyl-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanoate Openeye Name: ethyl 2-[(3R,4S)-4-amino-1-benzyl-pyrrolidin-1-ium-3-yl]acetate CAS Name: 2-[(3R,4S)-4-amino-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3R,4S)-4-amino-1-benzylpyrrolidin-1-ium-3-yl]acetate Traditional Name: 2-[(3R,4S)-4-amino-1-benzyl-pyrrolidin-1-ium-3-yl]acetic acid ethyl ester Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C[NH+](CC1N)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C[C@@H]1C[NH+](C[C@H]1N)CC2=CC=CC=C2

InChI

InChI=1S/C15H22N2O2/c1-2-19-15(18)8-13-10-17(11-14(13)16)9-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,16H2,1H3/p+1/t13-,14-/m1/s1