N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-2-chloranyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide

Systemtic Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-2-chloranyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-2-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-2-chloro-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-2-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-(3-tert-butyl-2-myristyloxy-benzyl)-2-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C40H58ClIN2O2 MolecularWeight: 761.25819

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CN(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CN(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3Cl.[I-]

InChI

InChI=1S/C40H58ClN2O2.HI/c1-6-8-9-10-11-12-13-14-15-16-17-22-30-45-38-33(24-23-27-36(38)40(3,4)5)31-43(32-34-25-20-21-29-42(34)7-2)39(44)35-26-18-19-28-37(35)41;/h18-21,23-29H,6-17,22,30-32H2,1-5H3;1H/q+1;/p-1