4-methylbenzenesulfonate; trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium Openeye Name: 4-methylbenzenesulfonate; trimethyl-(1-methyl-2-phenothiazin-10-yl-ethyl)ammonium CAS Name: 4-methylbenzenesulfonate; trimethyl-[1-(10-phenothiazinyl)propan-2-yl]ammonium IUPAC Name: 4-methylbenzenesulfonate; trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium Traditional Name: trimethyl-(1-methyl-2-phenothiazin-10-yl-ethyl)ammonium tosylate Formula: C25H30N2O3S2 MolecularWeight: 470.6473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)[N+](C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)[N+](C)(C)C

InChI

InChI=1S/C18H23N2S.C7H8O3S/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19;1-6-2-4-7(5-3-6)11(8,9)10/h5-12,14H,13H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1