diethyl-methyl-(1-phenothiazin-10-ylpropan-2-yl)azanium; ethyl sulfate

Systemtic Name: diethyl-methyl-(1-phenothiazin-10-ylpropan-2-yl)azanium; ethyl sulfate Openeye Name: diethyl-methyl-(1-methyl-2-phenothiazin-10-yl-ethyl)ammonium; ethyl sulfate CAS Name: diethyl-methyl-[1-(10-phenothiazinyl)propan-2-yl]ammonium; ethyl sulfate IUPAC Name: diethyl-methyl-(1-phenothiazin-10-ylpropan-2-yl)azanium; ethyl sulfate Traditional Name: diethyl-methyl-(1-methyl-2-phenothiazin-10-yl-ethyl)ammonium; ethyl sulfate Formula: C22H32N2O4S2 MolecularWeight: 452.63048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N2S.C2H6O4S/c1-5-22(4,6-2)16(3)15-21-17-11-7-9-13-19(17)23-20-14-10-8-12-18(20)21;1-2-6-7(3,4)5/h7-14,16H,5-6,15H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1