methyl 3-[(6R)-4-cyclohexyl-6-oxidanyl-3-oxidanylidene-1,4-diazepan-1-ium-1-yl]propanoate

Systemtic Name: methyl 3-[(6R)-4-cyclohexyl-6-oxidanyl-3-oxidanylidene-1,4-diazepan-1-ium-1-yl]propanoate Openeye Name: methyl 3-[(6R)-4-cyclohexyl-6-hydroxy-3-oxo-1,4-diazepan-1-ium-1-yl]propanoate CAS Name: 3-[(6R)-4-cyclohexyl-6-hydroxy-3-oxo-1,4-diazepan-1-ium-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(6R)-4-cyclohexyl-6-hydroxy-3-oxo-1,4-diazepan-1-ium-1-yl]propanoate Traditional Name: 3-[(6R)-4-cyclohexyl-6-hydroxy-3-keto-1,4-diazepan-1-ium-1-yl]propionic acid methyl ester Formula: C15H27N2O4+ MolecularWeight: 299.38588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC[NH+]1CC(CN(C(=O)C1)C2CCCCC2)O

Isomeric SMILES

COC(=O)CC[NH+]1C[C@@H](CN(C(=O)C1)C2CCCCC2)O

InChI

InChI=1S/C15H26N2O4/c1-21-15(20)7-8-16-9-13(18)10-17(14(19)11-16)12-5-3-2-4-6-12/h12-13,18H,2-11H2,1H3/p+1/t13-/m0/s1