[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-(pyren-4-ylmethyl)azanium

Systemtic Name: [2-methyl-1,3-bis(oxidanyl)propan-2-yl]-(pyren-4-ylmethyl)azanium Openeye Name: [2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]-(pyren-4-ylmethyl)ammonium CAS Name: (1,3-dihydroxy-2-methylpropan-2-yl)-(4-pyrenylmethyl)ammonium IUPAC Name: (1,3-dihydroxy-2-methylpropan-2-yl)-(pyren-4-ylmethyl)azanium Traditional Name: (2-hydroxy-1-methyl-1-methylol-ethyl)-(pyren-4-ylmethyl)ammonium Formula: C21H22NO2+ MolecularWeight: 320.40488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)[NH2+]CC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3

Isomeric SMILES

CC(CO)(CO)[NH2+]CC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3

InChI

InChI=1S/C21H21NO2/c1-21(12-23,13-24)22-11-17-10-16-6-2-4-14-8-9-15-5-3-7-18(17)20(15)19(14)16/h2-10,22-24H,11-13H2,1H3/p+1