[1-[4-(3-methylimidazol-3-ium-1-yl)butoxy]-3-[octadecylcarbamoyl(propan-2-yl)amino]propan-2-yl] N-methylcarbamate

Systemtic Name: [1-[4-(3-methylimidazol-3-ium-1-yl)butoxy]-3-[octadecylcarbamoyl(propan-2-yl)amino]propan-2-yl] N-methylcarbamate Openeye Name: [1-[[isopropyl(octadecylcarbamoyl)amino]methyl]-2-[4-(3-methylimidazol-3-ium-1-yl)butoxy]ethyl] N-methylcarbamate CAS Name: N-methylcarbamic acid [1-[4-(3-methyl-1-imidazol-3-iumyl)butoxy]-3-[[(octadecylamino)-oxomethyl]-propan-2-ylamino]propan-2-yl] ester IUPAC Name: [1-[4-(3-methylimidazol-3-ium-1-yl)butoxy]-3-[octadecylcarbamoyl(propan-2-yl)amino]propan-2-yl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [1-[[isopropyl(stearylcarbamoyl)amino]methyl]-2-[4-(3-methylimidazol-3-ium-1-yl)butoxy]ethyl] ester Formula: C35H68N5O4+ MolecularWeight: 622.94552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)N(CC(COCCCCN1C=C[N+](=C1)C)OC(=O)NC)C(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)N(CC(COCCCCN1C=C[N+](=C1)C)OC(=O)NC)C(C)C

InChI

InChI=1S/C35H67N5O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-37-34(41)40(32(2)3)29-33(44-35(42)36-4)30-43-28-23-22-25-39-27-26-38(5)31-39/h26-27,31-33H,6-25,28-30H2,1-5H3,(H-,36,37,41,42)/p+1