(3S)-1-[2-[2-(2-methylprop-2-enoxy)phenyl]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-[2-(2-methylprop-2-enoxy)phenyl]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-[2-(2-methylallyloxy)phenyl]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[2-(2-methylprop-2-enoxy)phenyl]-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-[2-(2-methylprop-2-enoxy)phenyl]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[2-(2-methylallyloxy)phenyl]ethyl]piperidin-1-ium-3-carboxylate Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COC1=CC=CC=C1C(=O)C[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CC(=C)COC1=CC=CC=C1C(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C18H23NO4/c1-13(2)12-23-17-8-4-3-7-15(17)16(20)11-19-9-5-6-14(10-19)18(21)22/h3-4,7-8,14H,1,5-6,9-12H2,2H3,(H,21,22)/t14-/m0/s1