[3,4-bis(oxidanyl)phenyl]methyl-(3-phenylpropyl)azanium

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-(3-phenylpropyl)azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-(3-phenylpropyl)ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-(3-phenylpropyl)ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-(3-phenylpropyl)azanium Traditional Name: 3-phenylpropyl(protocatechuyl)ammonium Formula: C16H20NO2+ MolecularWeight: 258.3355

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC[NH2+]CC2=CC(=C(C=C2)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC[NH2+]CC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C16H19NO2/c18-15-9-8-14(11-16(15)19)12-17-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17-19H,4,7,10,12H2/p+1