methyl sulfate; trimethyl(2-phenothiazin-10-ylpropyl)azanium

Systemtic Name: methyl sulfate; trimethyl(2-phenothiazin-10-ylpropyl)azanium Openeye Name: methyl sulfate; trimethyl(2-phenothiazin-10-ylpropyl)ammonium CAS Name: methyl sulfate; trimethyl-[2-(10-phenothiazinyl)propyl]ammonium IUPAC Name: methyl sulfate; trimethyl(2-phenothiazin-10-ylpropyl)azanium Traditional Name: methyl sulfate; trimethyl(2-phenothiazin-10-ylpropyl)ammonium Formula: C19H26N2O4S2 MolecularWeight: 410.55074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](C)(C)C)N1C2=CC=CC=C2SC3=CC=CC=C31.COS(=O)(=O)[O-]

Isomeric SMILES

CC(C[N+](C)(C)C)N1C2=CC=CC=C2SC3=CC=CC=C31.COS(=O)(=O)[O-]

InChI

InChI=1S/C18H23N2S.CH4O4S/c1-14(13-20(2,3)4)19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19;1-5-6(2,3)4/h5-12,14H,13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1