[4-(hexadecoxymethyl)oxolan-2-yl]methyl N-ethanoyl-N-(pyridin-1-ium-2-ylmethyl)carbamate

Systemtic Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl N-ethanoyl-N-(pyridin-1-ium-2-ylmethyl)carbamate Openeye Name: [4-(hexadecoxymethyl)tetrahydrofuran-2-yl]methyl N-acetyl-N-(pyridin-1-ium-2-ylmethyl)carbamate CAS Name: N-acetyl-N-(2-pyridin-1-iumylmethyl)carbamic acid [4-(hexadecoxymethyl)-2-oxolanyl]methyl ester IUPAC Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl N-acetyl-N-(pyridin-1-ium-2-ylmethyl)carbamate Traditional Name: N-acetyl-N-(pyridin-1-ium-2-ylmethyl)carbamic acid [4-(cetyloxymethyl)tetrahydrofuran-2-yl]methyl ester Formula: C31H53N2O5+ MolecularWeight: 533.76292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)N(CC2=CC=CC=[NH+]2)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)N(CC2=CC=CC=[NH+]2)C(=O)C

InChI

InChI=1S/C31H52N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-36-24-28-22-30(37-25-28)26-38-31(35)33(27(2)34)23-29-19-16-17-20-32-29/h16-17,19-20,28,30H,3-15,18,21-26H2,1-2H3/p+1