[3-(hexadecoxymethyl)thietan-2-yl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate

Systemtic Name: [3-(hexadecoxymethyl)thietan-2-yl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate Openeye Name: [3-(hexadecoxymethyl)thietan-2-yl]methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid [3-(hexadecoxymethyl)-2-thietanyl]methyl ester IUPAC Name: [3-(hexadecoxymethyl)thietan-2-yl]methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamic acid [3-(cetyloxymethyl)thietan-2-yl]methyl ester Formula: C32H55N2O4S+ MolecularWeight: 563.8551

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CSC1COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CSC1COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C

InChI

InChI=1S/C32H55N2O4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-37-25-29-27-39-31(29)26-38-32(36)34(28(3)35)24-30-21-18-19-22-33(30)5-2/h18-19,21-22,29,31H,4-17,20,23-27H2,1-3H3/q+1