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

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-cycloheptyl-azanium Openeye Name: cycloheptyl-[(3,4-dihydroxyphenyl)methyl]ammonium CAS Name: cycloheptyl-[(3,4-dihydroxyphenyl)methyl]ammonium IUPAC Name: cycloheptyl-[(3,4-dihydroxyphenyl)methyl]azanium Traditional Name: cycloheptyl(protocatechuyl)ammonium Formula: C14H22NO2+ MolecularWeight: 236.32998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH2+]CC2=CC(=C(C=C2)O)O

Isomeric SMILES

C1CCCC(CC1)[NH2+]CC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C14H21NO2/c16-13-8-7-11(9-14(13)17)10-15-12-5-3-1-2-4-6-12/h7-9,12,15-17H,1-6,10H2/p+1