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

Systemtic Name: [2-[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[4-[2-(2-ethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[4-[2-(2-ethylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[4-[2-(2-ethylanilino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl] ester Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4/c1-3-15-6-4-5-7-16(15)19-17(23)12-20-8-10-21(11-9-20)18(24)13-25-14(2)22/h4-7H,3,8-13H2,1-2H3,(H,19,23)/p+1