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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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