tert-butyl (2R)-2-(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)-4-oxa-8-azaspiro[4.5]decane-8-carboxylate

Systemtic Name: tert-butyl (2R)-2-(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)-4-oxa-8-azaspiro[4.5]decane-8-carboxylate Openeye Name: tert-butyl (2R)-2-(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)-4-oxa-8-azaspiro[4.5]decane-8-carboxylate CAS Name: (2R)-2-[4-(1-pyrrolidin-1-iumyl)-1-piperidin-1-iumyl]-4-oxa-8-azaspiro[4.5]decane-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)-4-oxa-8-azaspiro[4.5]decane-8-carboxylate Traditional Name: (2R)-2-(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)-4-oxa-8-azaspiro[4.5]decane-8-carboxylic acid tert-butyl ester Formula: C22H41N3O3+2 MolecularWeight: 395.57924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2(CC1)CC(CO2)[NH+]3CCC(CC3)[NH+]4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CO2)[NH+]3CCC(CC3)[NH+]4CCCC4

InChI

InChI=1S/C22H39N3O3/c1-21(2,3)28-20(26)25-14-8-22(9-15-25)16-19(17-27-22)24-12-6-18(7-13-24)23-10-4-5-11-23/h18-19H,4-17H2,1-3H3/p+2/t19-/m1/s1