3-[2-(2-piperidin-1-ium-1-ylethoxy)naphthalen-1-yl]propanoate

Systemtic Name: 3-[2-(2-piperidin-1-ium-1-ylethoxy)naphthalen-1-yl]propanoate Openeye Name: 3-[2-(2-piperidin-1-ium-1-ylethoxy)-1-naphthyl]propanoate CAS Name: 3-[2-[2-(1-piperidin-1-iumyl)ethoxy]-1-naphthalenyl]propanoate IUPAC Name: 3-[2-(2-piperidin-1-ium-1-ylethoxy)naphthalen-1-yl]propanoate Traditional Name: 3-[2-(2-piperidin-1-ium-1-ylethoxy)-1-naphthyl]propionate Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=C(C3=CC=CC=C3C=C2)CCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=C(C3=CC=CC=C3C=C2)CCC(=O)[O-]

InChI

InChI=1S/C20H25NO3/c22-20(23)11-9-18-17-7-3-2-6-16(17)8-10-19(18)24-15-14-21-12-4-1-5-13-21/h2-3,6-8,10H,1,4-5,9,11-15H2,(H,22,23)