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

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-2-methoxy-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C38H55IN2O3 MolecularWeight: 714.75937

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3OC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3OC)C(C)(C)C.[I-]

InChI

InChI=1S/C38H55N2O3.HI/c1-7-8-9-10-11-12-13-14-15-20-27-43-36-25-24-31(28-34(36)38(2,3)4)29-40(30-32-21-18-19-26-39(32)5)37(41)33-22-16-17-23-35(33)42-6;/h16-19,21-26,28H,7-15,20,27,29-30H2,1-6H3;1H/q+1;/p-1