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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OC(=O)C

InChI

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