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

Systemtic Name: [1-[octadecylcarbamoyl(propan-2-yl)amino]-3-[4-(1,3-thiazol-3-ium-3-yl)butoxy]propan-2-yl] N-methylcarbamate Openeye Name: [1-[[isopropyl(octadecylcarbamoyl)amino]methyl]-2-(4-thiazol-3-ium-3-ylbutoxy)ethyl] N-methylcarbamate CAS Name: N-methylcarbamic acid [1-[[(octadecylamino)-oxomethyl]-propan-2-ylamino]-3-[4-(3-thiazol-3-iumyl)butoxy]propan-2-yl] ester IUPAC Name: [1-[octadecylcarbamoyl(propan-2-yl)amino]-3-[4-(1,3-thiazol-3-ium-3-yl)butoxy]propan-2-yl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [1-[[isopropyl(stearylcarbamoyl)amino]methyl]-2-(4-thiazol-3-ium-3-ylbutoxy)ethyl] ester Formula: C34H65N4O4S+ MolecularWeight: 625.9693

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)N(CC(COCCCC[N+]1=CSC=C1)OC(=O)NC)C(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)N(CC(COCCCC[N+]1=CSC=C1)OC(=O)NC)C(C)C

InChI

InChI=1S/C34H64N4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-36-33(39)38(31(2)3)28-32(42-34(40)35-4)29-41-26-22-21-24-37-25-27-43-30-37/h25,27,30-32H,5-24,26,28-29H2,1-4H3,(H-,35,36,39,40)/p+1