2-[2-hydroxyethyl-[4-[4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]sulfanylphenyl]amino]ethanol

Systemtic Name: 2-[2-hydroxyethyl-[4-[4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]sulfanylphenyl]amino]ethanol Openeye Name: 2-[N-(2-hydroxyethyl)-4-[4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]sulfanyl-anilino]ethanol CAS Name: 2-[N-(2-hydroxyethyl)-4-[[4-[(1-methyl-4-quinolin-1-iumyl)amino]phenyl]thio]anilino]ethanol IUPAC Name: 2-[N-(2-hydroxyethyl)-4-[4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]sulfanylanilino]ethanol Traditional Name: 2-[N-(2-hydroxyethyl)-4-[[4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]thio]anilino]ethanol Formula: C26H28N3O2S+ MolecularWeight: 446.58442

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)NC3=CC=C(C=C3)SC4=CC=C(C=C4)N(CCO)CCO

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)NC3=CC=C(C=C3)SC4=CC=C(C=C4)N(CCO)CCO

InChI

InChI=1S/C26H27N3O2S/c1-28-15-14-25(24-4-2-3-5-26(24)28)27-20-6-10-22(11-7-20)32-23-12-8-21(9-13-23)29(16-18-30)17-19-31/h2-15,30-31H,16-19H2,1H3/p+1