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

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-2-methoxy-N-[(1-methyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-2-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Formula: C38H54ClIN2O3 MolecularWeight: 749.20443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)C)C(=O)C3=CC=CC=C3OC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)C)C(=O)C3=CC=CC=C3OC)Cl.[I-]

InChI

InChI=1S/C38H54ClN2O3.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-44-37-23-22-33(29-35(37)39)31-41(30-32-24-26-40(2)27-25-32)38(42)34-20-17-18-21-36(34)43-3;/h17-18,20-27,29H,4-16,19,28,30-31H2,1-3H3;1H/q+1;/p-1