ethyl 4-[(6R)-4-(oxan-4-ylmethyl)-3-oxidanylidene-6-(pyridin-2-ylmethoxy)-1,4-diazepan-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(6R)-4-(oxan-4-ylmethyl)-3-oxidanylidene-6-(pyridin-2-ylmethoxy)-1,4-diazepan-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(6R)-3-oxo-6-(2-pyridylmethoxy)-4-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(6R)-4-(4-oxanylmethyl)-3-oxo-6-(2-pyridinylmethoxy)-1,4-diazepan-1-ium-1-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6R)-4-(oxan-4-ylmethyl)-3-oxo-6-(pyridin-2-ylmethoxy)-1,4-diazepan-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(6R)-3-keto-6-(2-pyridylmethoxy)-4-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C25H39N4O5+ MolecularWeight: 475.60096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2C[C@@H](CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=N4

InChI

InChI=1S/C25H38N4O5/c1-2-33-25(31)27-11-6-22(7-12-27)28-16-23(34-19-21-5-3-4-10-26-21)17-29(24(30)18-28)15-20-8-13-32-14-9-20/h3-5,10,20,22-23H,2,6-9,11-19H2,1H3/p+1/t23-/m0/s1