N-(2,6-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-(2-quinolin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C23H28N4O+2 MolecularWeight: 376.49462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3

InChI

InChI=1S/C23H26N4O/c1-17-6-5-7-18(2)23(17)25-22(28)16-26-12-14-27(15-13-26)21-11-10-19-8-3-4-9-20(19)24-21/h3-11H,12-16H2,1-2H3,(H,25,28)/p+2