3-[2-[3-(dimethylazaniumyl)propoxy]naphthalen-1-yl]propanoate

Systemtic Name: 3-[2-[3-(dimethylazaniumyl)propoxy]naphthalen-1-yl]propanoate Openeye Name: 3-[2-[3-(dimethylammonio)propoxy]-1-naphthyl]propanoate CAS Name: 3-[2-[3-(dimethylammonio)propoxy]-1-naphthalenyl]propanoate IUPAC Name: 3-[2-[3-(dimethylazaniumyl)propoxy]naphthalen-1-yl]propanoate Traditional Name: 3-[2-[3-(dimethylammonio)propoxy]-1-naphthyl]propionate Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C2=CC=CC=C2C=C1)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=C(C2=CC=CC=C2C=C1)CCC(=O)[O-]

InChI

InChI=1S/C18H23NO3/c1-19(2)12-5-13-22-17-10-8-14-6-3-4-7-15(14)16(17)9-11-18(20)21/h3-4,6-8,10H,5,9,11-13H2,1-2H3,(H,20,21)