[2-(4-quinolin-1-ium-1-ylbutoxymethyl)thietan-3-yl]methyl N-octadecylcarbamate

Systemtic Name: [2-(4-quinolin-1-ium-1-ylbutoxymethyl)thietan-3-yl]methyl N-octadecylcarbamate Openeye Name: [2-(4-quinolin-1-ium-1-ylbutoxymethyl)thietan-3-yl]methyl N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid [2-[4-(1-quinolin-1-iumyl)butoxymethyl]-3-thietanyl]methyl ester IUPAC Name: [2-(4-quinolin-1-ium-1-ylbutoxymethyl)thietan-3-yl]methyl N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid [2-(4-quinolin-1-ium-1-ylbutoxymethyl)thietan-3-yl]methyl ester Formula: C37H61N2O3S+ MolecularWeight: 613.95684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1CSC1COCCCC[N+]2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1CSC1COCCCC[N+]2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C37H60N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-38-37(40)42-30-34-32-43-36(34)31-41-29-21-20-27-39-28-22-24-33-23-17-18-25-35(33)39/h17-18,22-25,28,34,36H,2-16,19-21,26-27,29-32H2,1H3/p+1