1-ethyl-1-[3-(3-methylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: 1-ethyl-1-[3-(3-methylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-3-carboxylate Openeye Name: 1-ethyl-1-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidin-1-ium-3-carboxylate CAS Name: 1-ethyl-1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-piperidin-1-iumcarboxylate IUPAC Name: 1-ethyl-1-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidin-1-ium-3-carboxylate Traditional Name: 1-ethyl-1-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidin-1-ium-3-carboxylate Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC(C1)C(=O)[O-])CC(COC2=CC=CC(=C2)C)O

Isomeric SMILES

CC[N+]1(CCCC(C1)C(=O)[O-])CC(COC2=CC=CC(=C2)C)O

InChI

InChI=1S/C18H27NO4/c1-3-19(9-5-7-15(11-19)18(21)22)12-16(20)13-23-17-8-4-6-14(2)10-17/h4,6,8,10,15-16,20H,3,5,7,9,11-13H2,1-2H3