N-(3-chloranyl-4-dodecoxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]ethanamide iodide

Systemtic Name: N-(3-chloranyl-4-dodecoxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]ethanamide iodide Openeye Name: N-(3-chloro-4-dodecoxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide CAS Name: N-(3-chloro-4-dodecoxyphenyl)-N-[(1-propyl-4-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-(3-chloro-4-dodecoxyphenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide Traditional Name: N-(3-chloro-4-lauryloxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide Formula: C29H44ClIN2O2 MolecularWeight: 615.02933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)N(CC2=CC=[N+](C=C2)CCC)C(=O)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)N(CC2=CC=[N+](C=C2)CCC)C(=O)C)Cl.[I-]

InChI

InChI=1S/C29H44ClN2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-22-34-29-16-15-27(23-28(29)30)32(25(3)33)24-26-17-20-31(19-5-2)21-18-26;/h15-18,20-21,23H,4-14,19,22,24H2,1-3H3;1H/q+1;/p-1