3-chloranyl-4-dodecoxy-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide

Systemtic Name: 3-chloranyl-4-dodecoxy-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: 3-chloro-4-dodecoxy-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: 3-chloro-4-dodecoxy-N-[(1-ethyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 3-chloro-4-dodecoxy-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: 3-chloro-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-lauryloxy-benzamide iodide Formula: C27H40ClIN2O2 MolecularWeight: 586.97617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)CC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)CC)Cl.[I-]

InChI

InChI=1S/C27H39ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-20-32-26-15-14-24(21-25(26)28)27(31)29-22-23-16-18-30(4-2)19-17-23;/h14-19,21H,3-13,20,22H2,1-2H3;1H