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3-[3-[methyl-(phenylmethyl)azaniumyl]propoxy]benzoate

3-[3-[methyl-(phenylmethyl)azaniumyl]propoxy]benzoate

Systemtic Name:3-[3-[methyl-(phenylmethyl)azaniumyl]propoxy]benzoate
Openeye Name:3-[3-[benzyl(methyl)ammonio]propoxy]benzoate
CAS Name:3-[3-[methyl-(phenylmethyl)ammonio]propoxy]benzoate
IUPAC Name:3-[3-[benzyl(methyl)azaniumyl]propoxy]benzoate
Traditional Name:3-[3-[benzyl(methyl)ammonio]propoxy]benzoate
Formula: C18H21NO3
MolecularWeight: 299.36424
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCOC1=CC=CC(=C1)C(=O)[O-])CC2=CC=CC=C2


Isomeric SMILES

C[NH+](CCCOC1=CC=CC(=C1)C(=O)[O-])CC2=CC=CC=C2


InChI

InChI=1S/C18H21NO3/c1-19(14-15-7-3-2-4-8-15)11-6-12-22-17-10-5-9-16(13-17)18(20)21/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,20,21)


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