[2-tert-butyl-4-[ethanoyl-[(1-methylpyridin-1-ium-2-yl)methyl]carbamoyl]phenyl] N-octadecylcarbamate iodide

Systemtic Name: [2-tert-butyl-4-[ethanoyl-[(1-methylpyridin-1-ium-2-yl)methyl]carbamoyl]phenyl] N-octadecylcarbamate iodide Openeye Name: [4-[acetyl-[(1-methylpyridin-1-ium-2-yl)methyl]carbamoyl]-2-tert-butyl-phenyl] N-octadecylcarbamate iodide CAS Name: N-octadecylcarbamic acid [4-[[acetyl-[(1-methyl-2-pyridin-1-iumyl)methyl]amino]-oxomethyl]-2-tert-butylphenyl] ester iodide IUPAC Name: [4-[acetyl-[(1-methylpyridin-1-ium-2-yl)methyl]carbamoyl]-2-tert-butylphenyl] N-octadecylcarbamate iodide Traditional Name: N-stearylcarbamic acid [4-[acetyl-[(1-methylpyridin-1-ium-2-yl)methyl]carbamoyl]-2-tert-butyl-phenyl] ester iodide Formula: C39H62IN3O4 MolecularWeight: 763.83175

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C)C(C)(C)C.[I-]

InChI

InChI=1S/C39H61N3O4.HI/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28-40-38(45)46-36-27-26-33(30-35(36)39(3,4)5)37(44)42(32(2)43)31-34-25-22-24-29-41(34)6;/h22,24-27,29-30H,7-21,23,28,31H2,1-6H3;1H