ethyl 4-[(6R)-4-cyclohexyl-6-oxidanyl-3-oxidanylidene-1,4-diazepan-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(6R)-4-cyclohexyl-6-oxidanyl-3-oxidanylidene-1,4-diazepan-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(6R)-4-cyclohexyl-6-hydroxy-3-oxo-1,4-diazepan-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(6R)-4-cyclohexyl-6-hydroxy-3-oxo-1,4-diazepan-1-ium-1-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6R)-4-cyclohexyl-6-hydroxy-3-oxo-1,4-diazepan-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(6R)-4-cyclohexyl-6-hydroxy-3-keto-1,4-diazepan-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C19H34N3O4+ MolecularWeight: 368.49096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CC(CN(C(=O)C2)C3CCCCC3)O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2C[C@@H](CN(C(=O)C2)C3CCCCC3)O

InChI

InChI=1S/C19H33N3O4/c1-2-26-19(25)20-10-8-15(9-11-20)21-12-17(23)13-22(18(24)14-21)16-6-4-3-5-7-16/h15-17,23H,2-14H2,1H3/p+1/t17-/m0/s1