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

Systemtic Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-2-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-2-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-2-methoxy-N-[(1-propyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-2-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: N-(3-tert-butyl-4-cetyloxy-benzyl)-2-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C44H67IN2O3 MolecularWeight: 798.91885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H67N2O3.HI/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-23-32-49-42-29-28-37(33-40(42)44(3,4)5)35-46(36-38-25-24-31-45(34-38)30-8-2)43(47)39-26-21-22-27-41(39)48-6;/h21-22,24-29,31,33-34H,7-20,23,30,32,35-36H2,1-6H3;1H/q+1;/p-1