methyl 4-oxidanylidene-4-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]butanoate Openeye Name: methyl 4-oxo-4-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]butanoate CAS Name: 4-oxo-4-[[(3S)-1-phenethyl-3-piperidin-1-iumyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]butanoate Traditional Name: 4-keto-4-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]butyric acid methyl ester Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-23-18(22)10-9-17(21)19-16-8-5-12-20(14-16)13-11-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,19,21)/p+1/t16-/m0/s1