(4-tetradecoxyphenyl)methyl N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: (4-tetradecoxyphenyl)methyl N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: (4-tetradecoxyphenyl)methyl N-acetyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-methyl-2-pyridin-1-iumyl)methyl]carbamic acid (4-tetradecoxyphenyl)methyl ester iodide IUPAC Name: (4-tetradecoxyphenyl)methyl N-acetyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamic acid (4-myristyloxybenzyl) ester iodide Formula: C31H47IN2O4 MolecularWeight: 638.62035

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)COC(=O)N(CC2=CC=CC=[N+]2C)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)COC(=O)N(CC2=CC=CC=[N+]2C)C(=O)C.[I-]

InChI

InChI=1S/C31H47N2O4.HI/c1-4-5-6-7-8-9-10-11-12-13-14-17-24-36-30-21-19-28(20-22-30)26-37-31(35)33(27(2)34)25-29-18-15-16-23-32(29)3;/h15-16,18-23H,4-14,17,24-26H2,1-3H3;1H/q+1;/p-1