(4-methyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 3-methyl-2-oxidanyl-2-[(1S)-1-oxidanylethyl]butanoate

Systemtic Name: (4-methyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 3-methyl-2-oxidanyl-2-[(1S)-1-oxidanylethyl]butanoate Openeye Name: (4-methyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butanoate CAS Name: 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoic acid (4-methyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl ester IUPAC Name: (4-methyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate Traditional Name: 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butyric acid (4-methyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl ester Formula: C16H28NO4+ MolecularWeight: 298.39782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)O)(C(=O)OCC1=CC[N+]2(C1CCC2)C)O

Isomeric SMILES

C[C@@H](C(C(C)C)(C(=O)OCC1=CC[N+]2(C1CCC2)C)O)O

InChI

InChI=1S/C16H28NO4/c1-11(2)16(20,12(3)18)15(19)21-10-13-7-9-17(4)8-5-6-14(13)17/h7,11-12,14,18,20H,5-6,8-10H2,1-4H3/q+1/t12-,14?,16?,17?/m0/s1