[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-(4-tert-butylphenoxy)ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-(4-tert-butylphenoxy)ethanoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-(4-tert-butylphenoxy)acetate CAS Name: 2-(4-tert-butylphenoxy)acetic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-(4-tert-butylphenoxy)acetate Traditional Name: 2-(4-tert-butylphenoxy)acetic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C23H30N3O4+ MolecularWeight: 412.502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C23H29N3O4/c1-23(2,3)18-7-9-19(10-8-18)29-17-22(28)30-16-21(27)26-14-12-25(13-15-26)20-6-4-5-11-24-20/h4-11H,12-17H2,1-3H3/p+1