[2-methoxy-2-methyl-3-[[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]methoxy]propyl] N-methyl-N-octadecyl-carbamate

Systemtic Name: [2-methoxy-2-methyl-3-[[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]methoxy]propyl] N-methyl-N-octadecyl-carbamate Openeye Name: [2-methoxy-2-methyl-3-[[4-(thiazol-3-ium-3-ylmethyl)phenyl]methoxy]propyl] N-methyl-N-octadecyl-carbamate CAS Name: N-methyl-N-octadecylcarbamic acid [2-methoxy-2-methyl-3-[[4-(3-thiazol-3-iumylmethyl)phenyl]methoxy]propyl] ester IUPAC Name: [2-methoxy-2-methyl-3-[[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]methoxy]propyl] N-methyl-N-octadecylcarbamate Traditional Name: N-methyl-N-stearyl-carbamic acid [2-methoxy-2-methyl-3-[4-(thiazol-3-ium-3-ylmethyl)benzyl]oxy-propyl] ester Formula: C36H61N2O4S+ MolecularWeight: 617.94554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C(=O)OCC(C)(COCC1=CC=C(C=C1)C[N+]2=CSC=C2)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C(=O)OCC(C)(COCC1=CC=C(C=C1)C[N+]2=CSC=C2)OC

InChI

InChI=1S/C36H61N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-37(3)35(39)42-31-36(2,40-4)30-41-29-34-23-21-33(22-24-34)28-38-26-27-43-32-38/h21-24,26-27,32H,5-20,25,28-31H2,1-4H3/q+1