2-oxidanylbenzoate; trimethyl-[1-(1-methylphenothiazin-10-yl)ethyl]azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC3=CC=CC=C3N2C(C)[N+](C)(C)C.C1=CC=C(C(=C1)C(=O)[O-])O

Isomeric SMILES

CC1=C2C(=CC=C1)SC3=CC=CC=C3N2C(C)[N+](C)(C)C.C1=CC=C(C(=C1)C(=O)[O-])O

InChI

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