[4-(hexadecoxymethyl)oxolan-2-yl]methyl N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate

Systemtic Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate Openeye Name: [4-(hexadecoxymethyl)tetrahydrofuran-2-yl]methyl N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate CAS Name: N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid [4-(hexadecoxymethyl)-2-oxolanyl]methyl ester IUPAC Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate Traditional Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamic acid [4-(cetyloxymethyl)tetrahydrofuran-2-yl]methyl ester Formula: C31H55N2O4+ MolecularWeight: 519.7794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)NCC2=CC=CC=[N+]2CC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)NCC2=CC=CC=[N+]2CC

InChI

InChI=1S/C31H54N2O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-35-25-28-23-30(36-26-28)27-37-31(34)32-24-29-20-17-18-21-33(29)4-2/h17-18,20-21,28,30H,3-16,19,22-27H2,1-2H3/p+1