2-(1,2-oxazol-3-yloxy)propyl 2-(aminomethyl)-1-ethyl-3-(heptadecylcarbamoyloxy)pyridin-1-ium-4-carboxylate

Systemtic Name: 2-(1,2-oxazol-3-yloxy)propyl 2-(aminomethyl)-1-ethyl-3-(heptadecylcarbamoyloxy)pyridin-1-ium-4-carboxylate Openeye Name: 2-isoxazol-3-yloxypropyl 2-(aminomethyl)-1-ethyl-3-(heptadecylcarbamoyloxy)pyridin-1-ium-4-carboxylate CAS Name: 2-(aminomethyl)-1-ethyl-3-[(heptadecylamino)-oxomethoxy]-4-pyridin-1-iumcarboxylic acid 2-(3-isoxazolyloxy)propyl ester IUPAC Name: 2-(1,2-oxazol-3-yloxy)propyl 2-(aminomethyl)-1-ethyl-3-(heptadecylcarbamoyloxy)pyridin-1-ium-4-carboxylate Traditional Name: 2-(aminomethyl)-1-ethyl-3-(heptadecylcarbamoyloxy)pyridin-1-ium-4-carboxylic acid 2-isoxazol-3-yloxypropyl ester Formula: C33H55N4O6+ MolecularWeight: 603.813

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)OC1=C(C=C[N+](=C1CN)CC)C(=O)OCC(C)OC2=NOC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)OC1=C(C=C[N+](=C1CN)CC)C(=O)OCC(C)OC2=NOC=C2

InChI

InChI=1S/C33H54N4O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-35-33(39)43-31-28(20-23-37(5-2)29(31)25-34)32(38)40-26-27(3)42-30-21-24-41-36-30/h20-21,23-24,27H,4-19,22,25-26,34H2,1-3H3/p+1