2-[1-[methoxy(octadecyl)carbamoyl]oxypropoxycarbonylamino]ethyl 1-ethylpyridin-1-ium-3-carboxylate

Systemtic Name: 2-[1-[methoxy(octadecyl)carbamoyl]oxypropoxycarbonylamino]ethyl 1-ethylpyridin-1-ium-3-carboxylate Openeye Name: 2-[1-[methoxy(octadecyl)carbamoyl]oxypropoxycarbonylamino]ethyl 1-ethylpyridin-1-ium-3-carboxylate CAS Name: 1-ethyl-3-pyridin-1-iumcarboxylic acid 2-[[1-[[methoxy(octadecyl)amino]-oxomethoxy]propoxy-oxomethyl]amino]ethyl ester IUPAC Name: 2-[1-[methoxy(octadecyl)carbamoyl]oxypropoxycarbonylamino]ethyl 1-ethylpyridin-1-ium-3-carboxylate Traditional Name: 1-ethylpyridin-1-ium-3-carboxylic acid 2-[1-[methoxy(stearyl)carbamoyl]oxypropoxycarbonylamino]ethyl ester Formula: C34H60N3O7+ MolecularWeight: 622.8561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C(=O)OC(CC)OC(=O)NCCOC(=O)C1=C[N+](=CC=C1)CC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C(=O)OC(CC)OC(=O)NCCOC(=O)C1=C[N+](=CC=C1)CC)OC

InChI

InChI=1S/C34H59N3O7/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-37(41-4)34(40)44-31(6-2)43-33(39)35-25-28-42-32(38)30-24-23-26-36(7-3)29-30/h23-24,26,29,31H,5-22,25,27-28H2,1-4H3/p+1