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

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-2-chloranyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-2-chloro-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-2-chloro-N-[(1-methyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-2-chloro-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-2-chloro-N-[(1-methylpyridin-1-ium-3-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=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3Cl)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3Cl)C(C)(C)C.[I-]

InChI

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