[3,4-bis(oxidanyl)phenyl]methyl-(1-ethylsulfonylpiperidin-4-yl)azanium

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-(1-ethylsulfonylpiperidin-4-yl)azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-(1-ethylsulfonyl-4-piperidyl)ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-(1-ethylsulfonyl-4-piperidinyl)ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-(1-ethylsulfonylpiperidin-4-yl)azanium Traditional Name: (1-esyl-4-piperidyl)-protocatechuyl-ammonium Formula: C14H23N2O4S+ MolecularWeight: 315.40842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)[NH2+]CC2=CC(=C(C=C2)O)O

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)[NH2+]CC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C14H22N2O4S/c1-2-21(19,20)16-7-5-12(6-8-16)15-10-11-3-4-13(17)14(18)9-11/h3-4,9,12,15,17-18H,2,5-8,10H2,1H3/p+1