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

Systemtic Name: 2-chloranyl-N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: 2-chloro-N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: 2-chloro-N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-propyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 2-chloro-N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-2-chloro-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide Formula: C39H55Cl2IN2O2 MolecularWeight: 781.67667

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CCC)C(=O)C3=CC=CC=C3Cl)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CCC)C(=O)C3=CC=CC=C3Cl)Cl.[I-]

InChI

InChI=1S/C39H55Cl2N2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-29-45-38-23-22-34(30-37(38)41)32-43(39(44)35-20-17-18-21-36(35)40)31-33-24-27-42(26-4-2)28-25-33;/h17-18,20-25,27-28,30H,3-16,19,26,29,31-32H2,1-2H3;1H/q+1;/p-1