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

Systemtic Name: (3-chloranyl-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate iodide Openeye Name: (3-chloro-4-tetradecoxy-phenyl)methyl N-acetyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-propyl-3-pyridin-1-iumyl)methyl]carbamic acid (3-chloro-4-tetradecoxyphenyl)methyl ester iodide IUPAC Name: (3-chloro-4-tetradecoxyphenyl)methyl N-acetyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamic acid (3-chloro-4-myristyloxy-benzyl) ester iodide Formula: C33H50ClIN2O4 MolecularWeight: 701.11857

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=C[N+](=CC=C2)CCC)C(=O)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=C[N+](=CC=C2)CCC)C(=O)C)Cl.[I-]

InChI

InChI=1S/C33H50ClN2O4.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-23-39-32-20-19-29(24-31(32)34)27-40-33(38)36(28(3)37)26-30-18-17-22-35(25-30)21-5-2;/h17-20,22,24-25H,4-16,21,23,26-27H2,1-3H3;1H/q+1;/p-1