2-[1-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethyl]cyclohexyl]ethanoate

Systemtic Name: 2-[1-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethyl]cyclohexyl]ethanoate Openeye Name: 2-[1-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxo-ethyl]cyclohexyl]acetate CAS Name: 2-[1-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxoethyl]cyclohexyl]acetate IUPAC Name: 2-[1-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxoethyl]cyclohexyl]acetate Traditional Name: 2-[1-[2-keto-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]cyclohexyl]acetate Formula: C16H28N2O3 MolecularWeight: 296.40512

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CC2(CCCCC2)CC(=O)[O-]

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CC2(CCCCC2)CC(=O)[O-]

InChI

InChI=1S/C16H28N2O3/c1-17-8-5-9-18(11-10-17)14(19)12-16(13-15(20)21)6-3-2-4-7-16/h2-13H2,1H3,(H,20,21)