[3-(5-carboxy-2-oxidanyl-phenyl)-3-phenyl-propyl]-di(propan-2-yl)azanium

Systemtic Name: [3-(5-carboxy-2-oxidanyl-phenyl)-3-phenyl-propyl]-di(propan-2-yl)azanium Openeye Name: [3-(5-carboxy-2-hydroxy-phenyl)-3-phenyl-propyl]-diisopropyl-ammonium CAS Name: [3-(5-carboxy-2-hydroxyphenyl)-3-phenylpropyl]-di(propan-2-yl)ammonium IUPAC Name: [3-(5-carboxy-2-hydroxyphenyl)-3-phenylpropyl]-di(propan-2-yl)azanium Traditional Name: [3-(5-carboxy-2-hydroxy-phenyl)-3-phenyl-propyl]-diisopropyl-ammonium Formula: C22H30NO3+ MolecularWeight: 356.4785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO3/c1-15(2)23(16(3)4)13-12-19(17-8-6-5-7-9-17)20-14-18(22(25)26)10-11-21(20)24/h5-11,14-16,19,24H,12-13H2,1-4H3,(H,25,26)/p+1