(3-tert-butyl-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: (3-tert-butyl-4-tetradecoxy-phenyl)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 (3-tert-butyl-4-tetradecoxyphenyl)methyl ester iodide IUPAC Name: (3-tert-butyl-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 (3-tert-butyl-4-myristyloxy-benzyl) ester iodide Formula: C35H55IN2O4 MolecularWeight: 694.72667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H55N2O4.HI/c1-7-8-9-10-11-12-13-14-15-16-17-20-25-40-33-23-22-30(26-32(33)35(3,4)5)28-41-34(39)37(29(2)38)27-31-21-18-19-24-36(31)6;/h18-19,21-24,26H,7-17,20,25,27-28H2,1-6H3;1H/q+1;/p-1