(3-chloranyl-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: (3-chloranyl-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: (3-chloro-4-tetradecoxy-phenyl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid (3-chloro-4-tetradecoxyphenyl)methyl ester iodide IUPAC Name: (3-chloro-4-tetradecoxyphenyl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamic acid (3-chloro-4-myristyloxy-benzyl) ester iodide Formula: C32H48ClIN2O4 MolecularWeight: 687.09199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H48ClN2O4.HI/c1-4-6-7-8-9-10-11-12-13-14-15-18-23-38-31-21-20-28(24-30(31)33)26-39-32(37)35(27(3)36)25-29-19-16-17-22-34(29)5-2;/h16-17,19-22,24H,4-15,18,23,25-26H2,1-3H3;1H/q+1;/p-1