4-[(E)-but-1-enyl]-4-(cyclohexylmethyl)-5-ethoxycarbonyl-2,2,3-trimethyl-1,3-oxazolidin-3-ium-3-carboxylic acid

Systemtic Name: 4-[(E)-but-1-enyl]-4-(cyclohexylmethyl)-5-ethoxycarbonyl-2,2,3-trimethyl-1,3-oxazolidin-3-ium-3-carboxylic acid Openeye Name: 4-[(E)-but-1-enyl]-4-(cyclohexylmethyl)-5-ethoxycarbonyl-2,2,3-trimethyl-oxazolidin-3-ium-3-carboxylic acid CAS Name: 4-[(E)-but-1-enyl]-4-(cyclohexylmethyl)-5-ethoxycarbonyl-2,2,3-trimethyl-3-oxazolidin-3-iumcarboxylic acid IUPAC Name: 4-[(E)-but-1-enyl]-4-(cyclohexylmethyl)-5-ethoxycarbonyl-2,2,3-trimethyl-1,3-oxazolidin-3-ium-3-carboxylic acid Traditional Name: 4-[(E)-but-1-enyl]-5-carbethoxy-4-(cyclohexylmethyl)-2,2,3-trimethyl-oxazolidin-3-ium-3-carboxylic acid Formula: C21H36NO5+ MolecularWeight: 382.51424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1(C(OC([N+]1(C)C(=O)O)(C)C)C(=O)OCC)CC2CCCCC2

Isomeric SMILES

CC/C=C/C1(C(OC([N+]1(C)C(=O)O)(C)C)C(=O)OCC)CC2CCCCC2

InChI

InChI=1S/C21H35NO5/c1-6-8-14-21(15-16-12-10-9-11-13-16)17(18(23)26-7-2)27-20(3,4)22(21,5)19(24)25/h8,14,16-17H,6-7,9-13,15H2,1-5H3/p+1/b14-8+