2-[4-methyl-3-[8-[4-(C-pyrrolidin-1-ylcarbonimidoyl)phenoxy]octyl]-1,3-thiazol-3-ium-5-yl]ethanol

Systemtic Name: 2-[4-methyl-3-[8-[4-(C-pyrrolidin-1-ylcarbonimidoyl)phenoxy]octyl]-1,3-thiazol-3-ium-5-yl]ethanol Openeye Name: 2-[4-methyl-3-[8-[4-(pyrrolidine-1-carboximidoyl)phenoxy]octyl]thiazol-3-ium-5-yl]ethanol CAS Name: 2-[3-[8-[4-[imino(1-pyrrolidinyl)methyl]phenoxy]octyl]-4-methyl-5-thiazol-3-iumyl]ethanol IUPAC Name: 2-[4-methyl-3-[8-[4-(pyrrolidine-1-carboximidoyl)phenoxy]octyl]-1,3-thiazol-3-ium-5-yl]ethanol Traditional Name: 2-[4-methyl-3-[8-[4-(pyrrolidine-1-carboximidoyl)phenoxy]octyl]thiazol-3-ium-5-yl]ethanol Formula: C25H38N3O2S+ MolecularWeight: 444.65312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CCCCCCCCOC2=CC=C(C=C2)C(=N)N3CCCC3)CCO

Isomeric SMILES

CC1=C(SC=[N+]1CCCCCCCCOC2=CC=C(C=C2)C(=N)N3CCCC3)CCO

InChI

InChI=1S/C25H38N3O2S/c1-21-24(14-18-29)31-20-28(21)17-6-4-2-3-5-9-19-30-23-12-10-22(11-13-23)25(26)27-15-7-8-16-27/h10-13,20,26,29H,2-9,14-19H2,1H3/q+1