[4-(hexadecoxymethyl)oxolan-2-yl]methyl 2-azanyl-1-ethyl-pyridin-1-ium-3-carboxylate

Systemtic Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl 2-azanyl-1-ethyl-pyridin-1-ium-3-carboxylate Openeye Name: [4-(hexadecoxymethyl)tetrahydrofuran-2-yl]methyl 2-amino-1-ethyl-pyridin-1-ium-3-carboxylate CAS Name: 2-amino-1-ethyl-3-pyridin-1-iumcarboxylic acid [4-(hexadecoxymethyl)-2-oxolanyl]methyl ester IUPAC Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl 2-amino-1-ethylpyridin-1-ium-3-carboxylate Traditional Name: 2-amino-1-ethyl-pyridin-1-ium-3-carboxylic acid [4-(cetyloxymethyl)tetrahydrofuran-2-yl]methyl ester Formula: C30H53N2O4+ MolecularWeight: 505.75282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)C2=C([N+](=CC=C2)CC)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)C2=C([N+](=CC=C2)CC)N

InChI

InChI=1S/C30H52N2O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-34-23-26-22-27(35-24-26)25-36-30(33)28-19-18-20-32(4-2)29(28)31/h18-20,26-27,31H,3-17,21-25H2,1-2H3/p+1