[4-[8-[(1-methylpyridin-1-ium-3-yl)carbonylamino]octoxy]phenyl] 2-chloranylbenzoate

Systemtic Name: [4-[8-[(1-methylpyridin-1-ium-3-yl)carbonylamino]octoxy]phenyl] 2-chloranylbenzoate Openeye Name: [4-[8-[(1-methylpyridin-1-ium-3-carbonyl)amino]octoxy]phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-[8-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]octoxy]phenyl] ester IUPAC Name: [4-[8-[(1-methylpyridin-1-ium-3-carbonyl)amino]octoxy]phenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-[8-[(1-methylpyridin-1-ium-3-carbonyl)amino]octoxy]phenyl] ester Formula: C28H32ClN2O4+ MolecularWeight: 496.01768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NCCCCCCCCOC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NCCCCCCCCOC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C28H31ClN2O4/c1-31-19-10-11-22(21-31)27(32)30-18-8-4-2-3-5-9-20-34-23-14-16-24(17-15-23)35-28(33)25-12-6-7-13-26(25)29/h6-7,10-17,19,21H,2-5,8-9,18,20H2,1H3/p+1