2-(3-chloranyl-4-dodecoxy-phenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]ethanamide iodide

Systemtic Name: 2-(3-chloranyl-4-dodecoxy-phenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: 2-(3-chloro-4-dodecoxy-phenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: 2-(3-chloro-4-dodecoxyphenyl)-N-[(1-propyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(3-chloro-4-dodecoxyphenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: 2-(3-chloro-4-lauryloxy-phenyl)-N-[(1-propylpyridin-1-ium-2-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)CC(=O)NCC2=CC=CC=[N+]2CCC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=CC=[N+]2CCC)Cl.[I-]

InChI

InChI=1S/C29H43ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-15-21-34-28-18-17-25(22-27(28)30)23-29(33)31-24-26-16-13-14-20-32(26)19-4-2;/h13-14,16-18,20,22H,3-12,15,19,21,23-24H2,1-2H3;1H