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

Systemtic Name: tert-butyl (2S)-2-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)-4-oxa-8-azaspiro[4.5]decane-8-carboxylate Openeye Name: tert-butyl (2S)-2-(4-pyrrolidin-1-ium-1-yl-1-piperidyl)-4-oxa-8-azaspiro[4.5]decane-8-carboxylate CAS Name: (2S)-2-[4-(1-pyrrolidin-1-iumyl)-1-piperidinyl]-4-oxa-8-azaspiro[4.5]decane-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)-4-oxa-8-azaspiro[4.5]decane-8-carboxylate Traditional Name: (2S)-2-(4-pyrrolidin-1-ium-1-ylpiperidino)-4-oxa-8-azaspiro[4.5]decane-8-carboxylic acid tert-butyl ester Formula: C22H40N3O3+ MolecularWeight: 394.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2(CC1)CC(CO2)N3CCC(CC3)[NH+]4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CO2)N3CCC(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+1/t19-/m0/s1