[3,4-bis(oxidanyl)phenyl]methyl-[(1S)-2,3-dihydro-1H-inden-1-yl]azanium

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-[(1S)-2,3-dihydro-1H-inden-1-yl]azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-[(1S)-indan-1-yl]ammonium CAS Name: [(1S)-2,3-dihydro-1H-inden-1-yl]-[(3,4-dihydroxyphenyl)methyl]ammonium IUPAC Name: [(1S)-2,3-dihydro-1H-inden-1-yl]-[(3,4-dihydroxyphenyl)methyl]azanium Traditional Name: [(1S)-indan-1-yl]-protocatechuyl-ammonium Formula: C16H18NO2+ MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C1[NH2+]CC3=CC(=C(C=C3)O)O

Isomeric SMILES

C1CC2=CC=CC=C2[C@H]1[NH2+]CC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C16H17NO2/c18-15-8-5-11(9-16(15)19)10-17-14-7-6-12-3-1-2-4-13(12)14/h1-5,8-9,14,17-19H,6-7,10H2/p+1/t14-/m0/s1