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

Systemtic Name: N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: N-[(3-chloro-4-dodecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-(3-chloro-4-lauryloxy-benzyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C35H48ClIN2O2 MolecularWeight: 691.12529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3)Cl.[I-]

InChI

InChI=1S/C35H48ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-18-26-40-34-23-22-30(27-33(34)36)28-38(35(39)31-19-14-13-15-20-31)29-32-21-16-17-25-37(32)24-4-2;/h13-17,19-23,25,27H,3-12,18,24,26,28-29H2,1-2H3;1H/q+1;/p-1