(3-chloranylsulfonyl-2,6-dimethyl-phenyl) 10-methylacridin-10-ium-9-carboxylate

Systemtic Name: (3-chloranylsulfonyl-2,6-dimethyl-phenyl) 10-methylacridin-10-ium-9-carboxylate Openeye Name: (3-chlorosulfonyl-2,6-dimethyl-phenyl) 10-methylacridin-10-ium-9-carboxylate CAS Name: 10-methyl-9-acridin-10-iumcarboxylic acid (3-chlorosulfonyl-2,6-dimethylphenyl) ester IUPAC Name: (3-chlorosulfonyl-2,6-dimethylphenyl) 10-methylacridin-10-ium-9-carboxylate Traditional Name: 10-methylacridin-10-ium-9-carboxylic acid (3-chlorosulfonyl-2,6-dimethyl-phenyl) ester Formula: C23H19ClNO4S+ MolecularWeight: 440.91926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)Cl)C)OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)Cl)C)OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C

InChI

InChI=1S/C23H19ClNO4S/c1-14-12-13-20(30(24,27)28)15(2)22(14)29-23(26)21-16-8-4-6-10-18(16)25(3)19-11-7-5-9-17(19)21/h4-13H,1-3H3/q+1