2-(3-chloranyl-4-hexadecoxy-phenoxy)-N-ethanoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]ethanamide iodide

Systemtic Name: 2-(3-chloranyl-4-hexadecoxy-phenoxy)-N-ethanoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: N-acetyl-2-(3-chloro-4-hexadecoxy-phenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: N-acetyl-2-(3-chloro-4-hexadecoxyphenoxy)-N-[(1-propyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-acetyl-2-(3-chloro-4-hexadecoxyphenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: N-acetyl-2-(4-cetyloxy-3-chloro-phenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C35H54ClIN2O4 MolecularWeight: 729.17173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C)Cl.[I-]

InChI

InChI=1S/C35H54ClN2O4.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-26-41-34-23-22-32(27-33(34)36)42-29-35(40)38(30(3)39)28-31-21-18-19-25-37(31)24-5-2;/h18-19,21-23,25,27H,4-17,20,24,26,28-29H2,1-3H3;1H/q+1;/p-1