methyl sulfate; trimethyl-[2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethyl]azanium

Systemtic Name: methyl sulfate; trimethyl-[2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethyl]azanium Openeye Name: methyl sulfate; trimethyl-[2-(7-oxobenzo[a]phenalen-3-yl)sulfanylethyl]ammonium CAS Name: methyl sulfate; trimethyl-[2-[(7-oxo-3-benzo[a]phenalenyl)thio]ethyl]ammonium IUPAC Name: methyl sulfate; trimethyl-[2-(7-oxobenzo[a]phenalen-3-yl)sulfanylethyl]azanium Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]ethyl-trimethyl-ammonium; methyl sulfate Formula: C23H25NO5S2 MolecularWeight: 459.5783

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCSC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C4C3=O.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCSC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C4C3=O.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H22NOS.CH4O4S/c1-23(2,3)13-14-25-20-12-11-16-15-7-4-5-8-17(15)22(24)19-10-6-9-18(20)21(16)19;1-5-6(2,3)4/h4-12H,13-14H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1