methyl N-[[1-ethyl-3-(3-hexadecoxy-2-methyl-thietan-2-yl)pyridin-1-ium-2-yl]methyl]carbamate

Systemtic Name: methyl N-[[1-ethyl-3-(3-hexadecoxy-2-methyl-thietan-2-yl)pyridin-1-ium-2-yl]methyl]carbamate Openeye Name: methyl N-[[1-ethyl-3-(3-hexadecoxy-2-methyl-thietan-2-yl)pyridin-1-ium-2-yl]methyl]carbamate CAS Name: N-[[1-ethyl-3-(3-hexadecoxy-2-methyl-2-thietanyl)-2-pyridin-1-iumyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[1-ethyl-3-(3-hexadecoxy-2-methylthietan-2-yl)pyridin-1-ium-2-yl]methyl]carbamate Traditional Name: N-[[3-(3-cetyloxy-2-methyl-thietan-2-yl)-1-ethyl-pyridin-1-ium-2-yl]methyl]carbamic acid methyl ester Formula: C30H53N2O3S+ MolecularWeight: 521.81842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1CSC1(C)C2=C([N+](=CC=C2)CC)CNC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1CSC1(C)C2=C([N+](=CC=C2)CC)CNC(=O)OC

InChI

InChI=1S/C30H52N2O3S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-35-28-25-36-30(28,3)26-21-20-22-32(6-2)27(26)24-31-29(33)34-4/h20-22,28H,5-19,23-25H2,1-4H3/p+1