(2-carboxy-5-phenyl-thiophen-3-yl)-[(3-chlorophenyl)methyl]-bis[(4-methylphenyl)carbonyl]azanium

Systemtic Name: (2-carboxy-5-phenyl-thiophen-3-yl)-[(3-chlorophenyl)methyl]-bis[(4-methylphenyl)carbonyl]azanium Openeye Name: (2-carboxy-5-phenyl-3-thienyl)-[(3-chlorophenyl)methyl]-bis(4-methylbenzoyl)ammonium CAS Name: (2-carboxy-5-phenyl-3-thiophenyl)-[(3-chlorophenyl)methyl]-bis[(4-methylphenyl)-oxomethyl]ammonium IUPAC Name: (2-carboxy-5-phenylthiophen-3-yl)-[(3-chlorophenyl)methyl]-bis(4-methylbenzoyl)azanium Traditional Name: (2-carboxy-5-phenyl-3-thienyl)-(3-chlorobenzyl)-bis(p-toluoyl)ammonium Formula: C34H27ClNO4S+ MolecularWeight: 581.10048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)[N+](CC2=CC(=CC=C2)Cl)(C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O)C(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[N+](CC2=CC(=CC=C2)Cl)(C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O)C(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C34H26ClNO4S/c1-22-11-15-26(16-12-22)32(37)36(21-24-7-6-10-28(35)19-24,33(38)27-17-13-23(2)14-18-27)29-20-30(41-31(29)34(39)40)25-8-4-3-5-9-25/h3-20H,21H2,1-2H3/p+1