2-oxidanylbenzoate; trimethyl(2-phenothiazin-10-ylpropan-2-yl)azanium

Systemtic Name: 2-oxidanylbenzoate; trimethyl(2-phenothiazin-10-ylpropan-2-yl)azanium Openeye Name: 2-hydroxybenzoate; trimethyl-(1-methyl-1-phenothiazin-10-yl-ethyl)ammonium CAS Name: 2-hydroxybenzoate; trimethyl-[2-(10-phenothiazinyl)propan-2-yl]ammonium IUPAC Name: 2-hydroxybenzoate; trimethyl(2-phenothiazin-10-ylpropan-2-yl)azanium Traditional Name: salicylate; trimethyl-(1-methyl-1-phenothiazin-10-yl-ethyl)ammonium Formula: C25H28N2O3S MolecularWeight: 436.56642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(N1C2=CC=CC=C2SC3=CC=CC=C31)[N+](C)(C)C.C1=CC=C(C(=C1)C(=O)[O-])O

Isomeric SMILES

CC(C)(N1C2=CC=CC=C2SC3=CC=CC=C31)[N+](C)(C)C.C1=CC=C(C(=C1)C(=O)[O-])O

InChI

InChI=1S/C18H23N2S.C7H6O3/c1-18(2,20(3,4)5)19-14-10-6-8-12-16(14)21-17-13-9-7-11-15(17)19;8-6-4-2-1-3-5(6)7(9)10/h6-13H,1-5H3;1-4,8H,(H,9,10)/q+1;/p-1