3-chloranyl-4-dodecoxy-N-ethanoyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]benzamide iodide

Systemtic Name: 3-chloranyl-4-dodecoxy-N-ethanoyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]benzamide iodide Openeye Name: N-acetyl-3-chloro-4-dodecoxy-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]benzamide iodide CAS Name: N-acetyl-3-chloro-4-dodecoxy-N-[3-(1-methyl-2-pyridin-1-iumyl)propyl]benzamide iodide IUPAC Name: N-acetyl-3-chloro-4-dodecoxy-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]benzamide iodide Traditional Name: N-acetyl-3-chloro-4-lauryloxy-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]benzamide iodide Formula: C30H44ClIN2O3 MolecularWeight: 643.03943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2C)C(=O)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2C)C(=O)C)Cl.[I-]

InChI

InChI=1S/C30H44ClN2O3.HI/c1-4-5-6-7-8-9-10-11-12-15-23-36-29-20-19-26(24-28(29)31)30(35)33(25(2)34)22-16-18-27-17-13-14-21-32(27)3;/h13-14,17,19-21,24H,4-12,15-16,18,22-23H2,1-3H3;1H/q+1;/p-1