N-(2-methyl-3-tetradecoxy-phenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]ethanamide iodide

Systemtic Name: N-(2-methyl-3-tetradecoxy-phenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: N-(2-methyl-3-tetradecoxy-phenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: N-(2-methyl-3-tetradecoxyphenyl)-N-[(1-propyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-(2-methyl-3-tetradecoxyphenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: N-(2-methyl-3-myristyloxy-phenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C32H51IN2O2 MolecularWeight: 622.66401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)N(CC2=C[N+](=CC=C2)CCC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)N(CC2=C[N+](=CC=C2)CCC)C(=O)C.[I-]

InChI

InChI=1S/C32H51N2O2.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-25-36-32-22-18-21-31(28(32)3)34(29(4)35)27-30-20-19-24-33(26-30)23-6-2;/h18-22,24,26H,5-17,23,25,27H2,1-4H3;1H/q+1;/p-1