methyl sulfate; trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium; hydrochloride

Systemtic Name: methyl sulfate; trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium; hydrochloride Openeye Name: methyl sulfate; trimethyl-(1-methyl-2-phenothiazin-10-yl-ethyl)ammonium; hydrochloride CAS Name: methyl sulfate; trimethyl-[1-(10-phenothiazinyl)propan-2-yl]ammonium; hydrochloride IUPAC Name: methyl sulfate; trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium; hydrochloride Traditional Name: methyl sulfate; trimethyl-(1-methyl-2-phenothiazin-10-yl-ethyl)ammonium; hydrochloride Formula: C19H27ClN2O4S2 MolecularWeight: 447.01168

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)[N+](C)(C)C.COS(=O)(=O)[O-].Cl

Isomeric SMILES

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)[N+](C)(C)C.COS(=O)(=O)[O-].Cl

InChI

InChI=1S/C18H23N2S.CH4O4S.ClH/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(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);1H/q+1;;/p-1