methyl 5-[[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]amino]-5-oxopentanoate Traditional Name: 5-[[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]amino]-5-keto-valeric acid methyl ester Formula: C18H33N2O3+ MolecularWeight: 325.46622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)NC1CCC[NH+](C1)CC2CCCCC2

Isomeric SMILES

COC(=O)CCCC(=O)N[C@H]1CCC[NH+](C1)CC2CCCCC2

InChI

InChI=1S/C18H32N2O3/c1-23-18(22)11-5-10-17(21)19-16-9-6-12-20(14-16)13-15-7-3-2-4-8-15/h15-16H,2-14H2,1H3,(H,19,21)/p+1/t16-/m0/s1