2-[1-[[2-(4-ethoxyphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[1-[[2-(4-ethoxyphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-[[2-(4-ethoxyphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-[[2-(4-ethoxyphenyl)phenyl]methoxy]-1-piperidin-1-iumyl]propanoic acid IUPAC Name: 2-[1-[[2-(4-ethoxyphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-(2-p-phenetylbenzyl)oxypiperidin-1-ium-1-yl]propionic acid Formula: C23H30NO4+ MolecularWeight: 384.4886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC=CC=C2CO[N+]3(CCCCC3)C(C)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC=CC=C2CO[N+]3(CCCCC3)C(C)C(=O)O

InChI

InChI=1S/C23H29NO4/c1-3-27-21-13-11-19(12-14-21)22-10-6-5-9-20(22)17-28-24(18(2)23(25)26)15-7-4-8-16-24/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3/p+1