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

Systemtic Name: methyl 5-oxidanylidene-5-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]pentanoate Openeye Name: methyl 5-oxo-5-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]pentanoate CAS Name: 5-oxo-5-[[(3S)-1-phenethyl-3-piperidin-1-iumyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 5-oxo-5-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]pentanoate Traditional Name: 5-keto-5-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]valeric acid methyl ester Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)NC1CCC[NH+](C1)CCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCC(=O)N[C@H]1CCC[NH+](C1)CCC2=CC=CC=C2

InChI

InChI=1S/C19H28N2O3/c1-24-19(23)11-5-10-18(22)20-17-9-6-13-21(15-17)14-12-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-15H2,1H3,(H,20,22)/p+1/t17-/m0/s1