chrysen-6-ylmethyl-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]azanium; methanesulfonate

Systemtic Name: chrysen-6-ylmethyl-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]azanium; methanesulfonate Openeye Name: chrysen-6-ylmethyl-[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]ammonium; methanesulfonate CAS Name: 6-chrysenylmethyl-(1,3-dihydroxy-2-methylpropan-2-yl)ammonium; methanesulfonate IUPAC Name: chrysen-6-ylmethyl-(1,3-dihydroxy-2-methylpropan-2-yl)azanium; methanesulfonate Traditional Name: chrysen-6-ylmethyl-(2-hydroxy-1-methyl-1-methylol-ethyl)ammonium mesylate Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)[NH2+]CC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C41.CS(=O)(=O)[O-]

Isomeric SMILES

CC(CO)(CO)[NH2+]CC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C41.CS(=O)(=O)[O-]

InChI

InChI=1S/C23H23NO2.CH4O3S/c1-23(14-25,15-26)24-13-17-12-22-18-7-3-2-6-16(18)10-11-21(22)20-9-5-4-8-19(17)20;1-5(2,3)4/h2-12,24-26H,13-15H2,1H3;1H3,(H,2,3,4)