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

Systemtic Name: trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium sulfate Openeye Name: trimethyl-(1-methyl-2-phenothiazin-10-yl-ethyl)ammonium sulfate CAS Name: trimethyl-[1-(10-phenothiazinyl)propan-2-yl]ammonium sulfate IUPAC Name: trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium sulfate Traditional Name: trimethyl-(1-methyl-2-phenothiazin-10-yl-ethyl)ammonium sulfate Formula: C36H46N4O4S3 MolecularWeight: 694.96984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H23N2S.H2O4S/c2*1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19;1-5(2,3)4/h2*5-12,14H,13H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2