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

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-2-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-2-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-2-methoxy-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-2-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-2-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C42H63IN2O3 MolecularWeight: 770.86569

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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)C(C)(C)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C42H63N2O3.HI/c1-7-9-10-11-12-13-14-15-16-17-18-23-31-47-40-28-27-35(32-38(40)42(3,4)5)33-44(34-36-24-21-22-30-43(36)29-8-2)41(45)37-25-19-20-26-39(37)46-6;/h19-22,24-28,30,32H,7-18,23,29,31,33-34H2,1-6H3;1H/q+1;/p-1