4-acetamido-N-[2-[(E)-2-(4-aminophenyl)ethenyl]-1-methyl-quinolin-1-ium-6-yl]benzamide ethanoate

Systemtic Name: 4-acetamido-N-[2-[(E)-2-(4-aminophenyl)ethenyl]-1-methyl-quinolin-1-ium-6-yl]benzamide ethanoate Openeye Name: 4-acetamido-N-[2-[(E)-2-(4-aminophenyl)vinyl]-1-methyl-quinolin-1-ium-6-yl]benzamide acetate CAS Name: 4-acetamido-N-[2-[(E)-2-(4-aminophenyl)ethenyl]-1-methyl-6-quinolin-1-iumyl]benzamide acetate IUPAC Name: 4-acetamido-N-[2-[(E)-2-(4-aminophenyl)ethenyl]-1-methylquinolin-1-ium-6-yl]benzamide acetate Traditional Name: 4-acetamido-N-[2-[(E)-2-(4-aminophenyl)vinyl]-1-methyl-quinolin-1-ium-6-yl]benzamide acetate Formula: C29H28N4O4 MolecularWeight: 496.55702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)[N+](=C(C=C3)C=CC4=CC=C(C=C4)N)C.CC(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)[N+](=C(C=C3)/C=C/C4=CC=C(C=C4)N)C.CC(=O)[O-]

InChI

InChI=1S/C27H24N4O2.C2H4O2/c1-18(32)29-23-11-6-20(7-12-23)27(33)30-24-13-16-26-21(17-24)8-15-25(31(26)2)14-5-19-3-9-22(28)10-4-19;1-2(3)4/h3-17,28H,1-2H3,(H2,29,30,32,33);1H3,(H,3,4)