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

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-2-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-2-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-2-methoxy-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-2-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-(3-chloro-4-myristyloxy-benzyl)-2-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C38H54ClIN2O3 MolecularWeight: 749.20443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3OC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3OC)Cl.[I-]

InChI

InChI=1S/C38H54ClN2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-15-20-28-44-37-25-24-32(29-35(37)39)30-41(31-33-21-18-19-27-40(33)26-5-2)38(42)34-22-16-17-23-36(34)43-3;/h16-19,21-25,27,29H,4-15,20,26,28,30-31H2,1-3H3;1H/q+1;/p-1