4-[3-[(phenylmethyl)-propan-2-yl-azaniumyl]propoxy]benzoate

Systemtic Name: 4-[3-[(phenylmethyl)-propan-2-yl-azaniumyl]propoxy]benzoate Openeye Name: 4-[3-[benzyl(isopropyl)ammonio]propoxy]benzoate CAS Name: 4-[3-[(phenylmethyl)-propan-2-ylammonio]propoxy]benzoate IUPAC Name: 4-[3-[benzyl(propan-2-yl)azaniumyl]propoxy]benzoate Traditional Name: 4-[3-[benzyl(isopropyl)ammonio]propoxy]benzoate Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3/c1-16(2)21(15-17-7-4-3-5-8-17)13-6-14-24-19-11-9-18(10-12-19)20(22)23/h3-5,7-12,16H,6,13-15H2,1-2H3,(H,22,23)