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

Systemtic Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-2-methoxy-N-[(1-methyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: N-(3-tert-butyl-4-cetyloxy-benzyl)-2-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Formula: C42H63IN2O3 MolecularWeight: 770.86569

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)C)C(=O)C3=CC=CC=C3OC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)C)C(=O)C3=CC=CC=C3OC)C(C)(C)C.[I-]

InChI

InChI=1S/C42H63N2O3.HI/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31-47-40-26-25-36(32-38(40)42(2,3)4)34-44(33-35-27-29-43(5)30-28-35)41(45)37-23-20-21-24-39(37)46-6;/h20-21,23-30,32H,7-19,22,31,33-34H2,1-6H3;1H/q+1;/p-1