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

Systemtic Name: 2-chloranyl-4-dodecoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: 2-chloro-4-dodecoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: 2-chloro-4-dodecoxy-N-[(1-propyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 2-chloro-4-dodecoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: 2-chloro-4-lauryloxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C28H42ClIN2O2 MolecularWeight: 601.00275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-20-33-25-16-17-26(27(29)21-25)28(32)30-22-24-15-14-19-31(23-24)18-4-2;/h14-17,19,21,23H,3-13,18,20,22H2,1-2H3;1H