ethyl 4-[4-[3-oxidanylidene-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[3-oxidanylidene-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[3-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methylamino]propyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-[3-oxo-3-[[(2R)-2-oxolanyl]methylamino]propyl]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[3-keto-3-[[(2R)-tetrahydrofuran-2-yl]methylamino]propyl]piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C21H38N3O4+ MolecularWeight: 396.54412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCC(CC2)CCC(=O)NCC3CCCO3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC(CC2)CCC(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C21H37N3O4/c1-2-27-21(26)24-13-9-18(10-14-24)23-11-7-17(8-12-23)5-6-20(25)22-16-19-4-3-15-28-19/h17-19H,2-16H2,1H3,(H,22,25)/p+1/t19-/m1/s1