1-(propoxycarbonylamino)octadecan-3-yl N-[3-(dimethylamino)propyl]carbamate hydrochloride

Systemtic Name: 1-(propoxycarbonylamino)octadecan-3-yl N-[3-(dimethylamino)propyl]carbamate hydrochloride Openeye Name: 1-[2-(propoxycarbonylamino)ethyl]hexadecyl N-[3-(dimethylamino)propyl]carbamate hydrochloride CAS Name: N-[3-(dimethylamino)propyl]carbamic acid 1-[[oxo(propoxy)methyl]amino]octadecan-3-yl ester hydrochloride IUPAC Name: 1-(propoxycarbonylamino)octadecan-3-yl N-[3-(dimethylamino)propyl]carbamate hydrochloride Traditional Name: N-[3-(dimethylamino)propyl]carbamic acid 1-[2-(propoxycarbonylamino)ethyl]hexadecyl ester hydrochloride Formula: C28H58ClN3O4 MolecularWeight: 536.23082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCNC(=O)OCCC)OC(=O)NCCCN(C)C.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCNC(=O)OCCC)OC(=O)NCCCN(C)C.Cl

InChI

InChI=1S/C28H57N3O4.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-26(21-23-30-27(32)34-25-6-2)35-28(33)29-22-19-24-31(3)4;/h26H,5-25H2,1-4H3,(H,29,33)(H,30,32);1H