[4-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylphenyl] ethanoate

Systemtic Name: [4-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylphenyl] ethanoate Openeye Name: [4-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]phenyl] acetate CAS Name: acetic acid [4-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl] ester IUPAC Name: [4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-4-ium-1-carbonyl]phenyl] acetate Traditional Name: acetic acid [4-[4-[2-(2,6-dimethylanilino)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]phenyl] ester Formula: C23H28N3O4+ MolecularWeight: 410.48612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-16-5-4-6-17(2)22(16)24-21(28)15-25-11-13-26(14-12-25)23(29)19-7-9-20(10-8-19)30-18(3)27/h4-10H,11-15H2,1-3H3,(H,24,28)/p+1