[3-(heptadecylcarbamoyloxy)-2-(1,2-oxazol-3-yloxy)propyl] 2-acetamido-2-(1-ethylpyridin-1-ium-2-yl)ethanoate

Systemtic Name: [3-(heptadecylcarbamoyloxy)-2-(1,2-oxazol-3-yloxy)propyl] 2-acetamido-2-(1-ethylpyridin-1-ium-2-yl)ethanoate Openeye Name: [3-(heptadecylcarbamoyloxy)-2-isoxazol-3-yloxy-propyl] 2-acetamido-2-(1-ethylpyridin-1-ium-2-yl)acetate CAS Name: 2-acetamido-2-(1-ethyl-2-pyridin-1-iumyl)acetic acid [3-[(heptadecylamino)-oxomethoxy]-2-(3-isoxazolyloxy)propyl] ester IUPAC Name: [3-(heptadecylcarbamoyloxy)-2-(1,2-oxazol-3-yloxy)propyl] 2-acetamido-2-(1-ethylpyridin-1-ium-2-yl)acetate Traditional Name: 2-acetamido-2-(1-ethylpyridin-1-ium-2-yl)acetic acid [3-(heptadecylcarbamoyloxy)-2-isoxazol-3-yloxy-propyl] ester Formula: C35H57N4O7+ MolecularWeight: 645.84968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)C(C1=CC=CC=[N+]1CC)NC(=O)C)OC2=NOC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)C(C1=CC=CC=[N+]1CC)NC(=O)C)OC2=NOC=C2

InChI

InChI=1S/C35H56N4O7/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-36-35(42)44-28-30(46-32-23-26-45-38-32)27-43-34(41)33(37-29(3)40)31-22-19-21-25-39(31)5-2/h19,21-23,25-26,30,33H,4-18,20,24,27-28H2,1-3H3,(H-,36,37,40,42)/p+1