N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-N-[(1-ethyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide Formula: C38H55IN2O2 MolecularWeight: 698.75997

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CC)C(=O)C3=CC=CC=C3)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CC)C(=O)C3=CC=CC=C3)C(C)(C)C.[I-]

InChI

InChI=1S/C38H55N2O2.HI/c1-6-8-9-10-11-12-13-14-15-19-28-42-36-23-22-33(29-35(36)38(3,4)5)31-40(37(41)34-20-17-16-18-21-34)30-32-24-26-39(7-2)27-25-32;/h16-18,20-27,29H,6-15,19,28,30-31H2,1-5H3;1H/q+1;/p-1