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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N2S.C7H6O3/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19;8-6-4-2-1-3-5(6)7(9)10/h5-12,14H,13H2,1-4H3;1-4,8H,(H,9,10)/q+1;/p-1