[(3S,4S,5R)-4-acetyloxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-1-ium-3-yl] ethanoate

Systemtic Name: [(3S,4S,5R)-4-acetyloxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-1-ium-3-yl] ethanoate Openeye Name: [(3S,4S,5R)-4-acetoxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-1-ium-3-yl] acetate CAS Name: acetic acid [(3S,4S,5R)-4-acetyloxy-5-[(4-methoxyphenyl)methyl]-3-pyrrolidin-1-iumyl] ester IUPAC Name: [(3S,4S,5R)-4-acetyloxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-1-ium-3-yl] acetate Traditional Name: acetic acid [(3S,4S,5R)-4-acetoxy-5-p-anisyl-pyrrolidin-1-ium-3-yl] ester Formula: C16H22NO5+ MolecularWeight: 308.34958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C[NH2+]C(C1OC(=O)C)CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)O[C@H]1C[NH2+][C@@H]([C@@H]1OC(=O)C)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H21NO5/c1-10(18)21-15-9-17-14(16(15)22-11(2)19)8-12-4-6-13(20-3)7-5-12/h4-7,14-17H,8-9H2,1-3H3/p+1/t14-,15+,16+/m1/s1