N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-2-chloranyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-2-chloranyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-2-chloro-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-2-chloro-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-2-chloro-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-2-chloro-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C39H56ClIN2O2 MolecularWeight: 747.23161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3Cl)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3Cl)C(C)(C)C.[I-]

InChI

InChI=1S/C39H56ClN2O2.HI/c1-6-7-8-9-10-11-12-13-14-15-16-21-28-44-37-26-25-32(29-35(37)39(2,3)4)30-42(31-33-22-19-20-27-41(33)5)38(43)34-23-17-18-24-36(34)40;/h17-20,22-27,29H,6-16,21,28,30-31H2,1-5H3;1H/q+1;/p-1