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

Systemtic Name: 2-chloranyl-N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: 2-chloro-N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: 2-chloro-N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 2-chloro-N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-2-chloro-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C38H53Cl2IN2O2 MolecularWeight: 767.65009

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H53Cl2N2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-27-44-37-25-24-32(28-36(37)40)30-42(31-33-21-20-26-41(4-2)29-33)38(43)34-22-17-18-23-35(34)39;/h17-18,20-26,28-29H,3-16,19,27,30-31H2,1-2H3;1H/q+1;/p-1