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

Systemtic Name: N-(3-chloranyl-2-tetradecoxy-phenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: N-(3-chloro-2-tetradecoxy-phenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: N-(3-chloro-2-tetradecoxyphenyl)-N-[(1-propyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-(3-chloro-2-tetradecoxyphenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: N-(3-chloro-2-myristyloxy-phenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C31H48ClIN2O2 MolecularWeight: 643.08249

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)N(CC2=C[N+](=CC=C2)CCC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)N(CC2=C[N+](=CC=C2)CCC)C(=O)C.[I-]

InChI

InChI=1S/C31H48ClN2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-24-36-31-29(32)20-17-21-30(31)34(27(3)35)26-28-19-18-23-33(25-28)22-5-2;/h17-21,23,25H,4-16,22,24,26H2,1-3H3;1H/q+1;/p-1